SCHEMBL9338379

SCHEMBL9338379

CCCc1ccc(C(=S)C=Cc2ccc(OCC)c(OCC)c2OCC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 4/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ CYP1A1 P04798 2/20 0.32

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
SCHEMBL9338523 0.89 MAPT (0.41) NPSR1USP2HSD17B10PLK1MAPT
SCHEMBL9337865 0.82 POLB (0.37) NPSR1USP2HSD17B10PLK1MAPT
SCHEMBL9338473 0.82 CYP1A1 (0.37) NPSR1USP2HSD17B10PLK1MAPT
SCHEMBL9341646 0.82 CYP1A1 (0.45) NPSR1MAPTSMN1; SMN2LMNAATM
SCHEMBL9338349 0.82 DPP4 (0.39) MAPTSMN1; SMN2LMNAATMALDH1A1
SCHEMBL9337948 0.79 HSD17B10 (0.42) NPSR1USP2HSD17B10PLK1MAPT
SCHEMBL9342353 0.75 AR (0.44) NPSR1USP2HSD17B10MAPTSMN1; SMN2
SCHEMBL9338572 0.74 MAOB (0.56) NPSR1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL10497499 0.74 THRA (0.39) KMT2ATHRBMEN1CYP1A2
SCHEMBL9338126 0.74 SMN1; SMN2 (0.43) NPSR1USP2HSD17B10MAPTSMN1; SMN2

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
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
Send feedback