SCHEMBL9338280

SCHEMBL9338280

CCc1ccc(C(=S)C=Cc2ccccc2CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ PTGER3 P43115 4/20 0.41
▸ PTGER2 P43116 4/20 0.41
▸ TBXA2R P21731 3/20 0.41
▸ PTGDR Q13258 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PTGS1 P23219 3/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ PTGER4 P35408 3/20 0.39
▸ PTGFR P43088 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ PTGIR P43119 1/20 0.38
▸ 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

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
SCHEMBL9341673 0.90 SMN1; SMN2 (0.39) SMN1; SMN2PTGER3PTGER2TBXA2RPTGDR
SCHEMBL9337936 0.88 SLC16A3 (0.38) SMN1; SMN2PTGER3PTGER2TBXA2RPTGDR
SCHEMBL9338323 0.87 SMN1; SMN2 (0.39) SMN1; SMN2PTGER3PTGER2TBXA2RPTGDR
SCHEMBL9338260 0.86 SLC16A3 (0.40) SMN1; SMN2SLC16A3TDP1
SCHEMBL9341961 0.85 SLC16A3 (0.41) SLC16A3TDP1
SCHEMBL9337420 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1PTGS1PTGS2MAOA
SCHEMBL9338556 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1PTGS1PTGS2MAOA
SCHEMBL9337789 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1PTGS1PTGS2MAOA
SCHEMBL9341534 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1PTGS1PTGS2MAOA
SCHEMBL9338419 0.81 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1PTGS1PTGS2MAOA

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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