SCHEMBL30744749

SCHEMBL30744749

CC(C)COc1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.65
▸ DHODH Q02127 2/20 0.57
▸ ELANE P08246 1/20 0.49
▸ PTGER1 P34995 1/20 0.48
▸ TLR8 Q9NR97 1/20 0.48
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ MGLL Q99685 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ P2RY12 Q9H244 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL30421301 0.86 ALOX15 (0.61) ALOX15DHODHP2RY12ALDH1A1HPGD
SCHEMBL31389285 0.84 ALOX15 (0.70) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL18528819 0.84 ALOX15 (0.70) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL9378807 0.81 ALOX15 (0.66) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL30421019 0.81 ALOX15 (0.70) ALOX15TLR8HTR3EHTR3BHTR3A
SCHEMBL18528809 0.81 ALOX15 (0.70) ALOX15TLR8HTR3EHTR3BHTR3A
SCHEMBL30438659 0.81 ALOX15 (0.69) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL20515870 0.81 ALOX15 (0.69) ALOX15P2RY12ALDH1A1HPGDHSD17B10
SCHEMBL2908552 0.80 ALOX15 (0.64) ALOX15ELANEPTGER1MCL1
SCHEMBL31389237 0.80 ALOX15 (0.64) ALOX15ELANEPTGER1MCL1

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
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