SCHEMBL9342647

SCHEMBL9342647

CCc1ccc(C(=S)C=Cc2c(OC)c(OC)cc(OC)c2OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.54
▸ PTGS2 P35354 1/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KRAS P01116 2/20 0.38
▸ TNFRSF1A P19438 2/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL9341509 0.92 TUBB1 (0.48) TUBB1PTGS2ABCG2MAPTLMNA
SCHEMBL9341498 0.89 TUBB1 (0.47) TUBB1PTGS2ABCG2LMNASMN1; SMN2
SCHEMBL9337757 0.89 SMN1; SMN2 (0.42) TUBB1PTGS2ABCG2LMNASMN1; SMN2
SCHEMBL9338012 0.86 TUBB1 (0.65) TUBB1ABCG2MAPTLMNASMN1; SMN2
SCHEMBL9341976 0.84 TUBB1 (0.48) TUBB1PTGS2ABCG2MAPTLMNA
SCHEMBL9338444 0.84 ABCG2 (0.56) TUBB1PTGS2ABCG2SMN1; SMN2
SCHEMBL9338183 0.83 ABCG2 (0.54) TUBB1ABCG2MAPTSMN1; SMN2KMT2A
SCHEMBL9338109 0.82 ABCG2 (0.55) TUBB1ABCG2MAPTLMNASMN1; SMN2
SCHEMBL9337997 0.82 TUBB1 (0.46) TUBB1PTGS2ABCG2MAPTLMNA
SCHEMBL9338511 0.80 ABCG2 (0.57) TUBB1ABCG2MAPTLMNASMN1; 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