SCHEMBL30421301

SCHEMBL30421301

O=C(O)c1cc(OCC(F)F)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.61
▸ P2RY12 Q9H244 4/20 0.43
▸ DHODH Q02127 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MGAM O43451 1/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ NCF1 P14598 3/20 0.40
▸ S1PR2 O95136 1/20 0.39

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
SCHEMBL30744749 0.86 ALOX15 (0.65) ALOX15P2RY12DHODHALDH1A1HPGD
SCHEMBL9378807 0.81 ALOX15 (0.66) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL30421133 0.81 ALOX15 (0.66) ALOX15ALDH1A1HPGDHSD17B10MGAM
SCHEMBL18528819 0.81 ALOX15 (0.70) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL31389285 0.81 ALOX15 (0.70) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL18528799 0.81 ALOX15 (0.61) ALOX15P2RY12DHODHALDH1A1HPGD
SCHEMBL2908552 0.80 ALOX15 (0.64) ALOX15
SCHEMBL30438115 0.80 ALOX15 (0.64) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL31389237 0.80 ALOX15 (0.64) ALOX15
SCHEMBL9384536 0.79 ALOX15 (0.62) ALOX15P2RY12ALDH1A1HPGDHSD17B10

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-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 — — CN claimed
CN-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 — — CN claimed
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