SCHEMBL23864210

SCHEMBL23864210

C=Cc1ccccc1C(=C)NCc1ccc(C(=C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
PPARG P37231 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
AVPR2 P30518 3/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
CA2 P00918 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
SCHEMBL23864239 0.89
SCHEMBL23864302 0.87 BCHE (0.31) LMNAAVPR2
SCHEMBL23864573 0.82
SCHEMBL23864447 0.81 AKR1C3 (0.36) HPGDHTTALDH1A1MAPTLMNA
SCHEMBL23864683 0.79 NR1H4 (0.35) HPGDHTTALDH1A1KDM4EGAA
SCHEMBL23864599 0.79 HTT (0.36) HPGDHTTALDH1A1MAPTLMNA
SCHEMBL23864267 0.75 TAS1R3 (0.41) HPGDNPC1RAB9AHTTALDH1A1
SCHEMBL23864738 0.75 HPGD (0.34) HPGDHTTALDH1A1KDM4ELMNA
SCHEMBL23864208 0.73 HPGD (0.32) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL23864539 0.72 HPGD (0.33) HPGDHTTALDH1A1KDM4EMAPT

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