SCHEMBL14707318

SCHEMBL14707318

C1=C(c2ccccc2)SC2c3ccc4c5c(ccc(c35)C12)-c1cc(-c2ccccc2)sc1-4

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ PTP4A3 O75365 2/20 0.34
▸ PTP4A2 Q12974 1/20 0.33
▸ PTP4A1 Q93096 1/20 0.33
▸ HSD17B2 P37059 1/20 0.31

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
SCHEMBL14707331 0.92 PTP4A3 (0.32) HSD17B1ESR1PTP4A3
SCHEMBL14707326 0.88 — —
SCHEMBL14707320 0.88 — —
SCHEMBL14707330 0.88 HSD17B1 (0.33) HSD17B1HSD17B2
SCHEMBL14707313 0.85 — —
SCHEMBL14707317 0.80 HDAC6 (0.34) —
SCHEMBL14707319 0.79 CHEK1 (0.32) —
SCHEMBL12924306 0.78 HSD17B1 (0.50) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL12924272 0.78 HSD17B1 (0.50) HSD17B1ESR1PTP4A3PTP4A2PTP4A1
SCHEMBL12924310 0.75 HSD17B1 (0.47) HSD17B1ESR1PTP4A3PTP4A2PTP4A1

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
EP-2259355-B1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS INC (JP) 2013-02-20 — — EP disclosed
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