SCHEMBL9338502

SCHEMBL9338502

CCc1ccc(C(=S)C=Cc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NFE2L2 Q16236 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TNFRSF1A P19438 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ TUBB1 Q9H4B7 1/20 0.50
▸ APP P05067 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ PDE4B Q07343 1/20 0.49

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
SCHEMBL9338012 0.86 TUBB1 (0.65) ABCG2KMT2AMEN1KDM4EMAPT
SCHEMBL9342014 0.82 MAOB (0.51) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL9338109 0.82 ABCG2 (0.55) ABCG2KMT2AMEN1NFE2L2MAPT
SCHEMBL9337782 0.81 CYP1A1 (0.45) ABCG2KMT2AMEN1KDM4EMAPT
SCHEMBL9338039 0.80 ALDH1A1 (0.41) ABCG2KMT2AMEN1KDM4EMAPT
SCHEMBL9339939 0.80 MAOB (0.54) ABCG2KMT2AMEN1NFE2L2KDM4E
SCHEMBL9342746 0.79 ABCG2 (0.58) ABCG2NFE2L2KDM4EMAPTLMNA
SCHEMBL9341522 0.79 ALOX5 (0.49) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL9341512 0.79 MAOA (0.46) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL9341498 0.78 TUBB1 (0.47) ABCG2KMT2AMEN1LMNAALDH1A1

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
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