SCHEMBL6404761

SCHEMBL6404761

CCc1ccc(C(C)(C)C)c(O)c1Cc1c(CC)ccc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.44
CA2 P00918 3/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
HIF1A Q16665 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
CA1 P00915 1/20 0.34
CYP2D6 P10635 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10597480 0.90 CA2 (0.45) HSPA5CA2GABRA1GABRB2HIF1A
SCHEMBL7008109 0.85 HSPA5 (0.49) HSPA5CA2GABRA1GABRB2HIF1A
SCHEMBL1174451 0.84 CA2 (0.50) HSPA5CA2GABRA1GABRB2HIF1A
SCHEMBL1377077 0.81 TYR (0.45) HSPA5CA2HIF1ACYP2C9CYP2C19
SCHEMBL26109081 0.80 TYR (0.47) HIF1ACYP2C9CYP2C19SMN1; SMN2TP53
SCHEMBL23940954 0.78 CA2 (0.45) HSPA5CA2GABRA1GABRB2HIF1A
SCHEMBL430925 0.78 CA2 (0.45) HSPA5CA2GABRA1GABRB2HIF1A
SCHEMBL753473 0.76 CYP2C19 (0.50) HSPA5CA2GABRA1GABRB2HIF1A
SCHEMBL14830878 0.76 GABRA1 (0.46) HSPA5CA2GABRA1GABRB2HIF1A
SCHEMBL29650379 0.76 CYP2C19 (0.50) HSPA5CA2GABRA1GABRB2HIF1A

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-20050143500-A1 Stabilizer mixtures GUGUMUS FRANCOIS (CH) 2005-06-30 US disclosed
US-6407190-B1 COMPLEX CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-18 US disclosed
EP-0718116-B1 Recording material FUJI PHOTO FILM CO LTD (JP) 1998-10-07 EP disclosed
EP-0718116-A2 Recording material FUJI PHOTO FILM CO., LTD. (JP) 1996-06-26 EP disclosed