SCHEMBL30744837

SCHEMBL30744837

O=C(O)c1cc(OCC2COC2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.57
IRAK4 Q9NWZ3 1/20 0.42
GRM5 P41594 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
RBP4 P02753 8/20 0.41
TTR P02766 5/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P2RY12 Q9H244 1/20 0.39
MGAM O43451 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
SCHEMBL20515876 0.88 ALOX15 (0.61) ALOX15RBP4TTRALDH1A1HPGD
SCHEMBL30438176 0.88 ALOX15 (0.61) ALOX15RBP4TTRALDH1A1HPGD
SCHEMBL30421104 0.80 ALOX15 (0.61) ALOX15GRM5NR1H4TTRALDH1A1
SCHEMBL18528819 0.78 ALOX15 (0.70) ALOX15ALDH1A1HPGDHSD17B10P2RY12
SCHEMBL31389285 0.78 ALOX15 (0.70) ALOX15ALDH1A1HPGDHSD17B10P2RY12
SCHEMBL9378807 0.78 ALOX15 (0.66) ALOX15ALDH1A1HPGDHSD17B10P2RY12
SCHEMBL2908552 0.77 ALOX15 (0.64) ALOX15
SCHEMBL30438115 0.77 ALOX15 (0.64) ALOX15ALDH1A1HPGDHSD17B10P2RY12
SCHEMBL31389237 0.77 ALOX15 (0.64) ALOX15
SCHEMBL9384536 0.76 ALOX15 (0.62) ALOX15ALDH1A1HPGDHSD17B10P2RY12

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