SCHEMBL31135565

SCHEMBL31135565

COc1ccc(CBr)cc1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.45
▸ MTNR1B P49286 2/20 0.45
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ LDHA P00338 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ABCG2 Q9UNQ0 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
SCHEMBL16355875 1.00 MTNR1A (0.45) MTNR1AMTNR1BCYP4F2CYP4A11LMNA
SCHEMBL14860053 0.88 MTNR1A (0.45) MTNR1AMTNR1BCYP4F2CYP4A11LMNA
SCHEMBL30394978 0.87 MTNR1A (0.46) MTNR1AMTNR1BCYP4F2CYP4A11LMNA
SCHEMBL31119031 0.84 HPGD (0.54) CYP4F2CYP4A11LMNAHPGDMRGPRX4
SCHEMBL1287529 0.84 HPGD (0.54) CYP4F2CYP4A11LMNAHPGDMRGPRX4
SCHEMBL1179585 0.82 CYP4F2 (0.49) CYP4F2CYP4A11HPGDALDH1A1KDM4E
SCHEMBL7597341 0.81 MRGPRX4 (0.57) CYP4F2CYP4A11HPGDMRGPRX4ALDH1A1
SCHEMBL4052165 0.81 CYP4F2 (0.67) CYP4F2CYP4A11LMNAALDH1A1HTT
SCHEMBL16355870 0.81 CYP4F2 (0.44) CYP4F2CYP4A11MRGPRX4
SCHEMBL3528211 0.80 ALDH1A1 (0.50) LMNAHPGDALDH1A1HTTSMN1; SMN2

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-118451058-A RXFP1 agonists 百时美施贵宝公司 2024-08-06 — — CN disclosed
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