SCHEMBL30744751

SCHEMBL30744751

CCCc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALOX15 P16050 2/20 0.58
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
MGAM O43451 1/20 0.47
PDE10A Q9Y233 2/20 0.47
ELANE P08246 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DHODH Q02127 1/20 0.46
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
IGFBP3 P17936 1/20 0.43
IGFBP5 P24593 1/20 0.43

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
SCHEMBL30744791 0.90 ALOX15 (0.61) KDM4EALOX15ALDH1A1HPGDMGAM
SCHEMBL28623461 0.89 ALOX15 (0.54) KDM4EALOX15ALDH1A1HPGDGAA
SCHEMBL11038698 0.88 KDM4E (0.53) KDM4EALOX15ALDH1A1HPGDGAA
SCHEMBL27928660 0.84 ALOX15 (0.58) KDM4EALOX15ALDH1A1HPGDMGAM
SCHEMBL6604473 0.83 ALOX15 (0.54) KDM4EALOX15ALDH1A1HPGDMGAM
SCHEMBL30420748 0.81 ALOX15 (0.63) KDM4EALOX15ALDH1A1HPGDMGAM
SCHEMBL30438333 0.80 ALOX15 (0.54) KDM4EALOX15ALDH1A1HPGDMGAM
SCHEMBL30744928 0.79 GRM2 (0.43) KDM4EALOX15IGFBP3IGFBP5
SCHEMBL4239380 0.78 KDM4E (0.49) KDM4EALOX15ALDH1A1HPGDGAA
SCHEMBL5835461 0.78 ALOX15 (0.51) KDM4EALOX15ALDH1A1HPGDMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed