SCHEMBL2311097

SCHEMBL2311097

OCC(c1ccccc1)c1ccc2c(ccc3c4ccccc4ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.47
AKR1B1 P15121 2/20 0.47
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HIF1A Q16665 1/20 0.44
CYP1B1 Q16678 1/20 0.44
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
CYP2D6 P10635 3/20 0.42
KCNH2 Q12809 3/20 0.42
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SOS1 Q07889 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TRPM4 Q8TD43 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2308079 0.98 AKR1B1 (0.48) HPRT1AKR1B1ALDH1A1HSD17B10HIF1A
SCHEMBL9576783 0.78 ABCB11 (0.54) HPRT1AKR1B1ALDH1A1HSD17B10HIF1A
SCHEMBL2310457 0.75 MEN1 (0.47) ALDH1A1HSD17B10SLC6A2SLC6A4SLC6A3
SCHEMBL11552637 0.73 HTR2A (0.44) CYP2D6TDP1
SCHEMBL193835 0.73 HTR2A (0.52) CYP2D6TSHRTDP1
SCHEMBL16033569 0.72 UGT2B7 (0.71) HPRT1AKR1B1ALDH1A1HSD17B10HIF1A
SCHEMBL12473662 0.71 CYP1A2 (0.55) HPRT1AKR1B1ALDH1A1HSD17B10HIF1A
Ammonia Solution, Strong SCHEMBL28352255 0.71 HTR2A (0.50) CYP2D6TSHRTDP1
Hydrochloric Acid SCHEMBL6251948 0.71 HTR2A (0.50) SLC6A2SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL598202 0.71 AKR1B1 (0.54) HPRT1AKR1B1ALDH1A1HSD17B10HIF1A

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