SCHEMBL5083123

SCHEMBL5083123

CC(C)(C)c1cc(CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(O)F)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
CYP2C19 P33261 5/20 0.36
HSPA5 P11021 2/20 0.36
CYP2C9 P11712 4/20 0.35
HIF1A Q16665 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
HSP90AA1 P07900 1/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
CYP2D6 P10635 4/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 3/20 0.32

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
SCHEMBL7651050 0.93 CYP2C19 (0.33) ALDH1A1MAPK1NPSR1GAAXBP1
SCHEMBL5083130 0.85 ALDH1A1 (0.45) ALDH1A1MAPK1NPSR1GAAXBP1
SCHEMBL4440718 0.84 CYP2C19 (0.33) ALDH1A1MAPK1NPSR1GAAXBP1
SCHEMBL466567 0.81 CYP2C19 (0.50) ALDH1A1MAPK1NPSR1GAAXBP1
SCHEMBL10415198 0.76 GABRA1 (0.32) HSP90AA1NR5A2NR5A1
SCHEMBL1406187 0.76 CYP3A4 (0.43) ALDH1A1MAPK1NPSR1GAAXBP1
SCHEMBL4597630 0.74 ALDH1A1 (0.48) ALDH1A1MAPK1NPSR1GAAXBP1
Butylated Hydroxytoluene SCHEMBL28956621 0.73 ALDH1A1 (0.62) ALDH1A1MAPK1NPSR1GAAXBP1
SCHEMBL10413834 0.73 USP2 (0.34) MAPK1SMN1; SMN2CYP3A4HSD17B10MEN1
SCHEMBL9657298 0.73 GAA (0.38) ALDH1A1MAPK1NPSR1GAAXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118475720-A Aqueous surface treatment agent and surface-treated metal 日涂表面处理化工有限公司 2024-08-09 CN disclosed
CN-112638966-B Copolymer of chloroprene monomer and unsaturated nitrile compound, composition containing copolymer, and vulcanized molded body of composition 电化株式会社 2023-10-10 CN disclosed
CN-114901716-A Chloroprene block copolymer, latex composition, and rubber composition 电化株式会社 2022-08-12 CN disclosed
EP-1493776-B1 Polycarbonate resin composition GEN ELECTRIC (US) 2008-03-12 EP disclosed
EP-1493776-A2 Polycarbonate resin composition GENERAL ELECTRIC COMPANY (US) 2005-01-05 EP disclosed
EP-1141114-B1 POLYCARBONATE RESIN COMPOSITION GEN ELECTRIC (US) 2004-10-06 EP disclosed
US-6613820-B2 A blend comprising polycarbonate, a styrene copolymer, and a phosphoric ester compound; molding material for high moisture resistance, flame resistant, mechanical strength GENERAL ELECTRIC COMPANY 2003-09-02 US disclosed
US-20020165300-A1 POLYCARBONATE RESIN COMPOSITION CITIBANK, N.A., AS COLLATERAL AGENT 2002-11-07 US disclosed
EP-1141114-A1 POLYCARBONATE RESIN COMPOSITION GENERAL ELECTRIC COMPANY (US) 2001-10-10 EP disclosed
WO-2000039210-A1 POLYCARBONATE RESIN COMPOSITION GENERAL ELECTRIC COMPANY (US) 2000-07-06 WO disclosed