SCHEMBL11059137

SCHEMBL11059137

CCC(=O)c1ccc(C(=O)c2ccc(S(C)(=O)=O)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GSR P00390 2/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 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
SCHEMBL11065553 0.81 SRD5A2 (0.42) SMN1; SMN2RAB9AALDH1A1HTTHPGD
SCHEMBL11069028 0.81 ALDH1A1 (0.43) L3MBTL1RAB9AALDH1A1GAAHPGD
Hexane SCHEMBL11060778 0.77 PTGS2 (0.41) ALDH1A1HPGDLMNA
Sulfur Dioxide SCHEMBL11107367 0.77 ALDH1A1 (0.39) L3MBTL1RAB9AALDH1A1GAAHPGD
SCHEMBL11061544 0.74 SMN1; SMN2 (0.41) MAPTSMN1; SMN2L3MBTL1RAB9AALDH1A1
SCHEMBL11059408 0.73 CES2 (0.42) RAB9AHPGDKMT2ANPC1BRD4
SCHEMBL11064408 0.72 CCND3 (0.40) SMN1; SMN2RAB9ANPC1
SCHEMBL1185872 0.71 GSR (0.61) MAPTSMN1; SMN2L3MBTL1GSRMMP2
SCHEMBL12967454 0.71 KDM4E (0.43) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL8051337 0.70 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1RAB9AALDH1A1

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
US-4458081-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1984-07-03 — — US disclosed
US-4454326-A 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates SYNTEX (U.S.A.) INC. (US) 1984-06-12 — — US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 — — US disclosed
US-4347186-A Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 — — US disclosed
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