SCHEMBL9121818

SCHEMBL9121818

OCc1ccccc1C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ LTA4H P09960 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ MAOB P27338 2/20 0.46
▸ IDH1 O75874 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL2032112 0.81 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL824976 0.81 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9125178 0.79 NPC1 (0.37) LMNASLC6A2SLC6A3HIF1ARAB9A
SCHEMBL917138 0.77 TDP1 (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL30335104 0.77 TDP1 (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9124580 0.75 BCHE (0.46) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9124579 0.75 ALDH1A1 (0.52) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9121746 0.75 FOXM1 (0.52) LMNAMAOBMAOARAB9ASMN1; SMN2
SCHEMBL2731334 0.74 PRKCA (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8761083 0.74 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5413997-A For treatment of osteoporosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-05-09 — — US disclosed
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 — — EP disclosed
US-5112867-A Osteoporosis Treatment KYOWA HAKKO GOGYO CO., LTD. (JP) 1992-05-12 — — US disclosed
EP-0395093-A1 Triphenylmethane derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-31 — — EP disclosed
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