SCHEMBL30438659

SCHEMBL30438659

COCCOc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.69
NCF1 P14598 4/20 0.49
P2RY12 Q9H244 3/20 0.48
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM1A O60341 1/20 0.43
PIK3CA P42336 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL20515870 1.00 ALOX15 (0.69) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL30438115 0.86 ALOX15 (0.64) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389263 0.85 ALOX15 (0.59) ALOX15NCF1ALDH1A1HPGDKDM4E
SCHEMBL9384536 0.84 ALOX15 (0.62) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL18528819 0.84 ALOX15 (0.70) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389285 0.84 ALOX15 (0.70) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL9385188 0.83 ALOX15 (0.61) ALOX15NCF1P2RY12TSHR
SCHEMBL31389295 0.83 ALOX15 (0.61) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL90018 0.83 ALOX15 (0.53) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL297225 0.82 ALOX15 (1.00) ALOX15P2RY12ALDH1A1HPGDKDM4E

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
CN-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN claimed