SCHEMBL11060495

SCHEMBL11060495

COC(=O)C(CCn1c(SC)ccc1C(=O)c1cc(C)cs1)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
USP2 O75604 1/20 0.31
CCR2 P41597 1/20 0.30

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
SCHEMBL11088045 0.83 HPGD (0.43)
SCHEMBL11064181 0.82 DAO (0.35) DAOCCR2
SCHEMBL11082200 0.80 ELANE (0.32) DAO
SCHEMBL11057986 0.77 ALDH1A1 (0.36)
SCHEMBL11057699 0.77 LDHA (0.35)
SCHEMBL11057482 0.77 HTT (0.38)
SCHEMBL11064950 0.76 SMN1; SMN2 (0.34)
SCHEMBL11064901 0.76 TAS1R3 (0.41)
SCHEMBL11062135 0.76 TSHR (0.44)
SCHEMBL11061784 0.75 PADI1 (0.39)

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