SCHEMBL9337948

SCHEMBL9337948

CCCc1ccc(C(=S)C=Cc2c(OCC)cccc2OCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AKR1C3 P42330 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL10497544 0.90 THRA (0.43) KMT2ATHRBTDP1
SCHEMBL9338523 0.85 MAPT (0.41) HSD17B10USP2NPSR1KMT2APKM
SCHEMBL9337865 0.81 POLB (0.37) HSD17B10USP2NPSR1ABCG2KMT2A
SCHEMBL9338011 0.79 KDM4E (0.55) PKMMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL10497463 0.79 PLK1 (0.48) ABCG2THRBPLK1TDP1
SCHEMBL9338379 0.79 NPSR1 (0.35) HSD17B10USP2NPSR1ABCG2KMT2A
SCHEMBL9342353 0.78 AR (0.44) HSD17B10USP2NPSR1KMT2APKM
SCHEMBL9338349 0.78 DPP4 (0.39) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL9341646 0.78 CYP1A1 (0.45) NPSR1MAPTLMNAATMSMN1; SMN2
SCHEMBL9338572 0.77 MAOB (0.56) NPSR1ABCG2KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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