SCHEMBL11060465

SCHEMBL11060465

CSc1cc(C)c(C(=O)c2ccccc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ATM Q13315 2/20 0.41
CYP3A4 P08684 2/20 0.41
PMP22 Q01453 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PDE4A P27815 1/20 0.41
BLM P54132 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11064057 0.80 GABRA1 (0.49) HPGDATMCYP3A4PMP22HSD17B10
SCHEMBL4783318 0.80 ALDH1A1 (0.46) HPGDATMCYP3A4PMP22HSD17B10
SCHEMBL8399921 0.74 ALDH1A1 (0.41) HPGDATMCYP3A4PMP22HSD17B10
SCHEMBL7674820 0.73 SRD5A2 (0.44) HPGDATMCYP3A4PMP22HSD17B10
SCHEMBL11057963 0.73 ALDH1A1 (0.39) HPGDATMCYP3A4PMP22HSD17B10
SCHEMBL23923476 0.71 MAPT (0.38) HPGDCYP3A4NPSR1HSD17B10ALOX15
SCHEMBL15197094 0.70 MEN1 (0.46) HPGDATMCYP3A4ALOX15CYP1A2
SCHEMBL11064229 0.70 SRD5A2 (0.41) HPGDATMCYP3A4PMP22NPSR1
SCHEMBL11048654 0.67 ALDH1A1 (0.48) HPGDATMCYP3A4PMP22NPSR1
Benzophenone SCHEMBL2156249 0.66 ALDH1A1 (0.74) HPGDATMTSHRALDH1A1TDP1

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