SCHEMBL31276630

SCHEMBL31276630

COC(=O)c1cccc(CO)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.75
▸ CYP4A11 Q02928 3/20 0.75
▸ LOXL2 Q9Y4K0 2/20 0.72
▸ SLC7A5 Q01650 1/20 0.60
▸ MRGPRX4 Q96LA9 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HIF1A Q16665 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ HPGD P15428 1/20 0.52
▸ FOLH1 Q04609 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50

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
SCHEMBL40012 1.00 CYP4F2 (0.75) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL481481 0.93 CYP4F2 (0.67) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
Benzyl Alcohol SCHEMBL11695618 0.89 CYP4F2 (0.66) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL481432 0.89 CYP4F2 (0.65) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL126284 0.87 LOXL2 (0.74) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL70173 0.87 CYP4F2 (0.83) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL46931 0.86 CYP4A11 (1.00) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL95887 0.85 LOXL2 (0.72) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL30230926 0.85 LOXL2 (0.72) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4
SCHEMBL6032783 0.84 LOXL2 (0.70) CYP4F2CYP4A11LOXL2SLC7A5MRGPRX4

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
US-20240336868-A1 COMPOSITIONS COMPRISING ADAMANTYL ESTER-CONTAINING COMPOUNDS THE PROCTER & GAMBLE COMPANY 2024-10-10 — — US disclosed
Send feedback