SCHEMBL7914494

SCHEMBL7914494

CC(C)(C)CC(C)(C)c1cc(Cl)c(O)c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ AR P10275 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31217717 1.00 CYP3A4 (0.46) CYP3A4SMN1; SMN2USP2MAPK1MEN1
SCHEMBL10947681 0.88 CYP3A4 (0.54) CYP3A4SMN1; SMN2USP2MAPK1MEN1
SCHEMBL5709987 0.88 IDH1 (0.53) CYP3A4SMN1; SMN2USP2MAPK1MEN1
SCHEMBL9070169 0.86 SHBG (0.50) CYP3A4SMN1; SMN2USP2MAPK1MEN1
SCHEMBL11773434 0.82 CYP2C19 (0.47) SMN1; SMN2MAPK1TP53HIF1ACYP2C9
SCHEMBL10130845 0.78 CYP3A4 (0.42) CYP3A4SMN1; SMN2USP2MAPK1MEN1
SCHEMBL18218319 0.76 CYP3A4 (0.41) CYP3A4SMN1; SMN2USP2MAPK1MEN1
SCHEMBL9247513 0.74 AKR1C2 (0.51) CYP3A4SMN1; SMN2USP2MAPK1MEN1
SCHEMBL11870047 0.74 SHBG (0.40) CYP3A4SMN1; SMN2USP2MAPK1MEN1
SCHEMBL200945 0.73 IDH1 (0.53) CYP3A4SMN1; SMN2USP2MAPK1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37133-E1 REACTING AN ORGANIC COMPLEXING AGENT SELECTED FROM DIOL, TRIOL AND POLYHYDROXY MACROLIDE-TYPE COMPOUNDS WITH BORATE OR BORIC ACID TO FORM BORATE ORGANIC COMPLEX ANION, REACTING THE COMPLEX OBTAINED WITH A COPPER COMPOUND TO FORM SALT FERNZ TIMBER PROTECTION LIMITED (NZ) 2001-04-10 — — US claimed
US-5221758-A Reacting an organic complexing agent with a borate or boric acid CHEMICCA LIMITED (NZ) 1993-06-22 — — US claimed
US-3981929-A Method of separating methylolphenols from solutions KERR-MCGEE CORPORATION (US) 1976-09-21 — — US claimed
EP-4731572-A1 METHOD FOR THE SELECTIVE EXTRACTION OF BORON BY MEANS OF AN ORGANIC SOLVENT FROM SOLUTIONS DERIVED FROM ACID ATTACK ON PERMANENT MAGNETS COMPRISING RARE EARTHS Caremag (FR) 2026-04-29 — — EP disclosed
WO-2024261418-A1 METHOD FOR THE SELECTIVE EXTRACTION OF BORON BY MEANS OF AN ORGANIC SOLVENT FROM SOLUTIONS DERIVED FROM ACID ATTACK ON PERMANENT MAGNETS COMPRISING RARE EARTHS CAREMAG (FR) 2024-12-26 — — WO disclosed
US-RE37133-E1 REACTING AN ORGANIC COMPLEXING AGENT SELECTED FROM DIOL, TRIOL AND POLYHYDROXY MACROLIDE-TYPE COMPOUNDS WITH BORATE OR BORIC ACID TO FORM BORATE ORGANIC COMPLEX ANION, REACTING THE COMPLEX OBTAINED WITH A COPPER COMPOUND TO FORM SALT FERNZ TIMBER PROTECTION LIMITED (NZ) 2001-04-10 — — US disclosed
US-5221758-A Reacting an organic complexing agent with a borate or boric acid CHEMICCA LIMITED (NZ) 1993-06-22 — — US disclosed
EP-0361892-A2 Improvements in or relating to preservatives and/or biocides CHEMICCA LIMITED (NZ) 1990-04-04 — — EP disclosed
US-4156059-A Inorganic-organic polymers and processes for their manufacture CHEMIE-ANLAGENBAU BISCHOFSHEIM GMBH (DE) 1979-05-22 — — US disclosed
US-4136238-A FROM WATER GLASS AND DIISOCYANATES METALLGESELLSCHAFT A.G. (DE) 1979-01-23 — — US disclosed
US-4108807-A REACTING A METALLATE WITH A PSEUDOHALIDE IN THE PRESENCE OF A PHENOL-SUBSTITUTED TERTIARY AMINE CATALYST CHEMIC-ANLAGENBAU BISCHOFSHEIM GMBH (DE) 1978-08-22 — — US disclosed
US-4098730-A Non-flammable organo-red mud polymers, some of which are electrically conductive, and process for their manufacture METALLGESELLSCHAFT AKTIENGESELLSCHAFT (DE) 1978-07-04 — — US disclosed
US-3981929-A Method of separating methylolphenols from solutions KERR-MCGEE CORPORATION (US) 1976-09-21 — — US disclosed
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