SCHEMBL7349267

SCHEMBL7349267

COc1cccc(C2C=CC=CC2(C)/C=C/[C]=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SLC9A1 P19634 1/20 0.35
HTR2C P28335 3/20 0.34
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GLA P06280 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL11038726 0.83 SLC9A1 (0.33) SLC9A1KDM1ARCOR1ALDH1A1HPGD
SCHEMBL20610265 0.67 HSD11B1 (0.46) HSD11B1DDB1CRBNSLC9A1HTR2C
SCHEMBL7313249 0.64 FBP1 (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3287384 0.61 SLC9A1 (0.56) HSD11B1DDB1CRBNSLC9A1HTR2C
SCHEMBL2119755 0.61 RELA (0.61) CHRM2CHRM1CHRM3
SCHEMBL2119753 0.61 RELA (0.61) CHRM2CHRM1CHRM3
SCHEMBL3287387 0.61 SLC9A1 (0.56) HSD11B1DDB1CRBNSLC9A1HTR2C
SCHEMBL3287396 0.61 SLC9A1 (0.56) HSD11B1DDB1CRBNSLC9A1HTR2C
SCHEMBL16919025 0.61 HTR2C (0.46) DDB1CRBNHTR2CKDM1ARCOR1
SCHEMBL23676966 0.61 HTR2C (0.61) DDB1CRBNHTR2CKDM1ARCOR1

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-4514401-A CARDIOTONICS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-04-30 US disclosed
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