SCHEMBL11064880

SCHEMBL11064880

CC1(C)OC(=O)C(CCn2c(C(=O)c3ccccc3F)ccc2S(C)(=O)=O)C(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
NLRP3 Q96P20 1/20 0.30
HCN1 O60741 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
SCHEMBL11065845 0.82 ALDH1A1 (0.34) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11055038 0.80 BACE1 (0.32)
SCHEMBL9792244 0.72 MDM2 (0.35) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11090292 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9792202 0.69 SMN1; SMN2 (0.46) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL11064801 0.69 PTGS2 (0.34) ALDH1A1HTT
SCHEMBL11077454 0.68 ALDH1A1 (0.33) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL9792291 0.66 MEN1 (0.35) KMT2AMEN1ALDH1A1HPGDTP53
SCHEMBL7993318 0.66 BACE1 (0.51) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11048350 0.65 MDM2 (0.35) MAPTKMT2AMEN1ALDH1A1HPGD

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