SCHEMBL1394585

SCHEMBL1394585

c1ccc2c(c1)ccc1c(SSc3cccc4c3ccc3ccccc34)cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.64
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP2A6 P11509 1/20 0.55
TSHR P16473 1/20 0.55
PAX8 Q06710 1/20 0.46
CYP1A2 P05177 5/20 0.46
HPGD P15428 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
PMP22 Q01453 1/20 0.42
USP2 O75604 2/20 0.42
PAK1 Q13153 1/20 0.42

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
SCHEMBL2944062 0.86 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30544440 0.86 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30550559 0.85 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL253961 0.85 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Naphthalene SCHEMBL28117644 0.83 ALDH1A1 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Water SCHEMBL27319226 0.83 IFNAR1 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Water SCHEMBL28049974 0.83 IFNAR1 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL8812298 0.83 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL31177955 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29640482 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194720-B Compound, organic photoelectric device and electronic equipment 武汉天马微电子有限公司 2022-08-23 CN disclosed
US-9199130-B2 Golf ball DUNLOP SPORTS CO. LTD. (JP) 2015-12-01 US disclosed
US-20120010021-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-01-12 US disclosed