SCHEMBL2310231

SCHEMBL2310231

OCCc1ccc2cc(CCO)c3ccccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.40
CYP1B1 Q16678 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DHODH Q02127 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CA2 P00918 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL2314155 0.90 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2308691 0.88 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2313600 0.88 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2313031 0.87 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2308721 0.87 TDP1 (0.42) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2313386 0.86 TDP1 (0.41) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2307222 0.85 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2307941 0.85 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2308581 0.85 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2311037 0.83 TRPM4 (0.48) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed