SCHEMBL2311447

SCHEMBL2311447

OCCc1ccc2c(ccc3c4ccccc4ccc23)c1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.50
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HNF4A P41235 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.38
PAX8 Q06710 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
HTT P42858 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL2312437 1.00 HPRT1 (0.50) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL1683213 0.91 HSD17B10 (0.52) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2308106 0.88 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2310721 0.82 HSP90AA1 (0.49) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2312926 0.81 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2312666 0.81 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2310818 0.81 HPRT1 (0.48) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL3042570 0.79 HPRT1 (0.56) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2312432 0.79 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10TSHRCYP2A6
SCHEMBL2309984 0.79 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10TSHRCYP2A6

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