SCHEMBL11064950

SCHEMBL11064950

CCC(=O)c1ccc(C(=O)c2ccc(SC)n2CCC(C(=O)OC)C(=O)OC)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11057482 0.88 HTT (0.38) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL11057699 0.88 LDHA (0.35) SMN1; SMN2RAB9AMAPTKMT2ANPC1
SCHEMBL11082200 0.81 ELANE (0.32) ALDH1A1GAA
SCHEMBL11060434 0.81 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AMAPTKMT2ANPC1
SCHEMBL11065067 0.81 LOXL2 (0.38) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL11064901 0.80 TAS1R3 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL11088045 0.78 HPGD (0.43) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL11062135 0.78 TSHR (0.44) SMN1; SMN2MAPTKMT2AALDH1A1L3MBTL1
SCHEMBL11086105 0.77 DYRK1A (0.31) ALDH1A1
SCHEMBL11061784 0.77 PADI1 (0.39) SMN1; SMN2RAB9AMAPTKMT2ANPC1

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