SCHEMBL23864683

SCHEMBL23864683

C=Cc1ccccc1C(=C)NCc1ccc(C(=C)C)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.35
HPGD P15428 5/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MAPK1 P28482 1/20 0.31
RPS6KB1 P23443 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.30
CYP2C9 P11712 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL23864208 0.90 HPGD (0.32) HPGDKDM4EALDH1A1HSD17B10IDO1
SCHEMBL23864738 0.85 HPGD (0.34) HPGDKDM4EALDH1A1HSD17B10ALOX12
SCHEMBL23864257 0.79 CYP2C9 (0.35) HPGDKDM4EALDH1A1GAAALOX12
SCHEMBL23864210 0.79 HPGD (0.35) HPGDKDM4EALDH1A1GAAHTT
SCHEMBL23864239 0.78
SCHEMBL23864482 0.78 TSHR (0.36) HPGDALDH1A1PDCD1CD274MEN1
SCHEMBL23864375 0.76 HDAC2 (0.37) NR1H4HPGDKDM4EALDH1A1HSD17B10
SCHEMBL23864743 0.76 HTT (0.32) HPGDKDM4EALDH1A1HSD17B10CD274
SCHEMBL23864469 0.76 HPGD (0.34) HPGDKDM4EALDH1A1ALOX12HTT
SCHEMBL23864573 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 EP disclosed