SCHEMBL11038726

SCHEMBL11038726

CC1(/C=C/[C]=O)C=CC=CC1c1cccc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.33
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7349267 0.83 HSD11B1 (0.36) SLC9A1KDM1ARCOR1ALDH1A1HPGD
SCHEMBL21037775 0.73 KDM1A (0.36) SLC9A1KDM1ARCOR1ALDH1A1MAPT
SCHEMBL7313249 0.66 FBP1 (0.36) ALDH1A1MAPTHPGD
SCHEMBL4337871 0.65 KDM1A (0.44) SLC9A1KDM1ARCOR1ALDH1A1MAPT
SCHEMBL13992539 0.58 HTR2A (0.41) SLC9A1KDM1ARCOR1ALDH1A1MAPT
SCHEMBL3790442 0.58 CYP3A4 (0.35) KDM1AALDH1A1MAPT
SCHEMBL2349000 0.57 CYP1A2 (0.56)
SCHEMBL2349002 0.57 CYP1A2 (0.56)
SCHEMBL11044547 0.57 IDO1 (0.46) ALDH1A1
SCHEMBL11044550 0.57 IDO1 (0.46) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed