SCHEMBL11060460

SCHEMBL11060460

CC1(C)OC(=O)C(CCn2c(C(=O)c3ccc(Cl)cc3)ccc2S(C)(=O)=O)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
HRH3 Q9Y5N1 9/20 0.33
BACE1 P56817 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TBXA2R P21731 1/20 0.30
PTGS2 P35354 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11064390 0.89 PTGS2 (0.37) HTTBACE1LMNAKMT2APTGS2
SCHEMBL11055038 0.89 BACE1 (0.32) BACE1GAA
SCHEMBL9792193 0.88 HTT (0.41) HTTHRH3BACE1LMNAGAA
SCHEMBL9792300 0.87 HTT (0.40) HTTHRH3BACE1LMNAGAA
SCHEMBL9792269 0.84 HTT (0.40) HTTHRH3BACE1LMNAGAA
SCHEMBL11068879 0.84 CNR2 (0.31) PTGS2
SCHEMBL11069050 0.83
SCHEMBL11061676 0.81 KAT6A (0.32)
SCHEMBL11062054 0.80 SMN1; SMN2 (0.34) HTTLMNAGAAKMT2ANPC1
SCHEMBL11064880 0.80 MAPT (0.36) HTTKMT2ATP53MAPT

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