SCHEMBL27467459

SCHEMBL27467459

CSc1ccc(C(Cc2cccc(F)c2)C(=O)C(Cc2cccc(F)c2)c2ccc(SC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 3/20 0.40
RIPK1 Q13546 1/20 0.39
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
MAOB P27338 1/20 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
SCHEMBL27466064 0.78 SLC1A1 (0.45) SLC1A1MEN1KMT2AFFAR1PPARG
SCHEMBL6994518 0.77 MAOB (0.45) SLC1A1ALDH1A1ESR1PPARGPPARA
SCHEMBL8873187 0.77 SLC1A1 (0.56) SLC1A1MEN1KMT2APPARGPPARA
SCHEMBL27426751 0.74 ESR1 (0.57) MEN1KMT2AESR1NPC1MAPT
SCHEMBL7173657 0.73 PPARG (0.52) SLC1A1FFAR1ALDH1A1PPARGPPARA
SCHEMBL28919781 0.72 EPHX1 (0.71) SLC1A1MEN1KMT2APPARGPPARA
SCHEMBL29609727 0.72 EPHX1 (0.71) SLC1A1MEN1KMT2APPARGPPARA
SCHEMBL3233609 0.72 TAAR1 (0.47) ALDH1A1ESR1MAOB
SCHEMBL7817795 0.72 TAAR1 (0.52) ALDH1A1ESR1MAOB
SCHEMBL9895000 0.72 SLC1A1 (0.48) SLC1A1MEN1KMT2AALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166658-C 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors ��ʽ����̫ƽ�� 2004-09-15 CN disclosed
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN disclosed