SCHEMBL11061544

SCHEMBL11061544

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 4/20 0.37
▸ ATM Q13315 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 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
SCHEMBL11056573 0.81 MAPT (0.45) SMN1; SMN2MAPTRAB9AALDH1A1HPGD
SCHEMBL11059137 0.74 MAPT (0.40) SMN1; SMN2MAPTL3MBTL1RAB9AALDH1A1
SCHEMBL8051337 0.71 SMN1; SMN2 (0.70) SMN1; SMN2MAPTL3MBTL1RAB9AALDH1A1
SCHEMBL275400 0.70 HAO1 (0.56) SMN1; SMN2MAPTL3MBTL1RAB9AALDH1A1
SCHEMBL11064162 0.68 RAB9A (0.52) SMN1; SMN2MAPTRAB9AALDH1A1TSHR
Ethyne SCHEMBL8050785 0.67 SMN1; SMN2 (0.64) SMN1; SMN2MAPTL3MBTL1RAB9AALDH1A1
SCHEMBL13578644 0.66 SMN1; SMN2 (0.70) SMN1; SMN2MAPTL3MBTL1RAB9AALDH1A1
SCHEMBL2643155 0.66 MAPT (0.57) SMN1; SMN2MAPTL3MBTL1RAB9AALDH1A1
SCHEMBL10389933 0.65 SMN1; SMN2 (0.83) SMN1; SMN2MAPTL3MBTL1RAB9AALDH1A1
SCHEMBL11060559 0.65 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANFKB1HSD17B10NPC1

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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