SCHEMBL9778930

SCHEMBL9778930

CCc1cc(C)c(C=CC(=S)c2ccccc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.43
▸ PTGS1 P23219 5/20 0.42
▸ ATM Q13315 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KAT6A Q92794 1/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ CREBBP Q92793 1/20 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
SCHEMBL9342710 0.82 SMN1; SMN2 (0.42) PTGS2PTGS1ABCB1ALOX5SMN1; SMN2
SCHEMBL9342389 0.80 SMN1; SMN2 (0.43) PTGS2PTGS1TP53ALOX5SMN1; SMN2
SCHEMBL9778593 0.71 PTGS2 (0.38) PTGS2PTGS1TP53SMN1; SMN2ALDH1A1
SCHEMBL10584476 0.70 ALDH1A1 (0.41) TP53SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL9342270 0.70 SMN1; SMN2 (0.46) PTGS2PTGS1ALOX5SMN1; SMN2NPC1
SCHEMBL9341978 0.70 SMN1; SMN2 (0.42) PTGS2PTGS1ATMALOX5SMN1; SMN2
SCHEMBL31545311 0.70 PPARA (0.46) PTGS2
SCHEMBL10498179 0.70 THRA (0.46) —
SCHEMBL9342747 0.70 AKR1C3 (0.44) PTGS2PTGS1ALOX5SMN1; SMN2NPC1
SCHEMBL9338406 0.69 BCL2 (0.43) PTGS2PTGS1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
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