SCHEMBL30438115

SCHEMBL30438115

O=C(O)c1cc(OCCO)c2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.64
NCF1 P14598 4/20 0.48
P2RY12 Q9H244 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACP1 P24666 1/20 0.44
LTB4R Q15722 3/20 0.43
PARP1 P09874 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
SCHEMBL9384536 0.87 ALOX15 (0.62) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL30438659 0.86 ALOX15 (0.69) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL9385188 0.86 ALOX15 (0.61) ALOX15NCF1P2RY12LTB4R
SCHEMBL20515870 0.86 ALOX15 (0.69) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389295 0.86 ALOX15 (0.61) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389263 0.85 ALOX15 (0.59) ALOX15NCF1ALDH1A1HPGD
SCHEMBL18528819 0.84 ALOX15 (0.70) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389285 0.84 ALOX15 (0.70) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL9378807 0.84 ALOX15 (0.66) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL31389237 0.82 ALOX15 (0.64) ALOX15

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