SCHEMBL11057482

SCHEMBL11057482

COC(=O)C(CCn1c(SC)ccc1C(=O)c1ccc(Cl)cc1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 2/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
F2 P00734 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
ELANE P08246 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
VNN1 O95497 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL11057699 0.89 LDHA (0.35) HTTHRH3HPGDLDHALDHB
SCHEMBL11064950 0.88 SMN1; SMN2 (0.34) HTTL3MBTL1MEN1KMT2ARAB9A
SCHEMBL9792191 0.86 HTT (0.41) HTTHRH3L3MBTL1HPGDLDHA
SCHEMBL9792234 0.84 HPGD (0.40) HTTHRH3L3MBTL1HPGDLDHA
SCHEMBL11060446 0.82 L3MBTL1 (0.37) HRH3L3MBTL1HPGDLDHALDHB
SCHEMBL11082200 0.82 ELANE (0.32) HPGDPLAUELANEKDM4EALDH1A1
SCHEMBL11060324 0.81 HTT (0.37) HTTHRH3L3MBTL1HPGDLDHA
SCHEMBL11065510 0.81 ALDH1A1 (0.31) HPGDKDM4EALDH1A1MAPT
SCHEMBL11064901 0.81 TAS1R3 (0.41) HTTL3MBTL1RAB9AALDH1A1VNN1
SCHEMBL11065067 0.80 LOXL2 (0.38) L3MBTL1RAB9AKDM4EALDH1A1MAPT

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