SCHEMBL11065067

SCHEMBL11065067

CCc1cccc(C(=O)c2ccc(SC)n2CCC(C(=O)OC)C(=O)OC)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FOLH1 Q04609 2/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
SLC7A5 Q01650 1/20 0.36
SMYD3 Q9H7B4 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL11064901 0.87 TAS1R3 (0.41) L3MBTL1MAPK1TSHRTDP1RAB9A
SCHEMBL11060469 0.83 ALDH1A1 (0.38) LOXL2L3MBTL1MAPK1TSHRTDP1
SCHEMBL11064950 0.81 SMN1; SMN2 (0.34) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11061784 0.80 PADI1 (0.39) L3MBTL1MAPK1TSHRTDP1RAB9A
SCHEMBL11057482 0.80 HTT (0.38) L3MBTL1TDP1RAB9AKDM4EALDH1A1
SCHEMBL11057699 0.80 LDHA (0.35) MAPK1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL11062135 0.78 TSHR (0.44) L3MBTL1MAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL11082200 0.78 ELANE (0.32) TSHRKDM4EALDH1A1
SCHEMBL11088045 0.77 HPGD (0.43) L3MBTL1MAPK1TSHRRAB9ASMN1; SMN2
SCHEMBL11057986 0.76 ALDH1A1 (0.36) TSHRTDP1RAB9ASMN1; SMN2NPC1

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