SCHEMBL23864334

SCHEMBL23864334

C=Cc1ccc(CNC(=O)c2cccc(CC)c2C(=C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MT-CO2 P00403 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL23864246 0.73 TXNRD1 (0.36) HPGDLMNAGAAALDH1A1MT-CO2
SCHEMBL23864263 0.73 LMNA (0.35) HPGDLMNAALDH1A1KDM4EKMT2A
SCHEMBL26418434 0.72 EPHX2 (0.56) LMNAKMT2ACYP1A2CYP2C19MAPT
SCHEMBL23864637 0.72 TXNRD1 (0.37) HPGDLMNAGAAALDH1A1MT-CO2
SCHEMBL4607284 0.71 KMT2A (0.58) GAAL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL28308813 0.71 GABRA1 (0.45) LMNAGAAALDH1A1KMT2A
SCHEMBL23864370 0.71 LMNA (0.35) HPGDLMNAALDH1A1KDM4EKMT2A
SCHEMBL26417189 0.70 EPHX2 (0.59) KMT2ACYP1A2CYP2C19MAPTHDAC3
SCHEMBL23864736 0.70 ALDH1A1 (0.36) HPGDLMNAGAAALDH1A1KDM4E
SCHEMBL13864006 0.69 TPSAB1 (0.44) HPGDLMNAALDH1A1HDAC3HDAC4

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
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