SCHEMBL10773452

SCHEMBL10773452

c1ccc2c3c(ccc2c1)OSN3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPRT1 P00492 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9327518 0.69 HSD17B10 (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL31712929 0.67 KDM4E (0.41) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL1821610 0.67 HSD17B10 (0.42) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL31191628 0.63 ALOX5 (0.55) HSD17B10ALDH1A1CYP2A6TSHRTDP1
SCHEMBL1801714 0.63 ALDH1A1 (0.42) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29477074 0.62 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29358486 0.62 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.62 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL1330750 0.62 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.62 CYP2A6 (1.00) HSD17B10ALDH1A1CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4634653-A SPECTRALLY SENSITIZED; PROCESSED WITH A SURFACE DEVELOPER IN THE PRESCENCE OF A FOGGING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1987-01-06 US claimed