SCHEMBL27464741

SCHEMBL27464741

CC(C)c1ccc(C(=O)OC(=O)c2ccccc2)c(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ FABP3 P05413 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GLRA1 P23415 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL28404027 0.90 BCL2 (0.43) BCL2MCL1GABRA1GABRB1TSHR
SCHEMBL28398711 0.84 LMNA (0.47) BCL2MCL1GABRA1GABRB1TSHR
SCHEMBL28407096 0.82 MEN1 (0.41) TSHRLMNAKMT2A
SCHEMBL28355059 0.81 BCL2 (0.58) BCL2MCL1GABRA1GABRB1FABP3
SCHEMBL9699992 0.81 TSHR (0.50) TSHRLMNAHTTF2KMT2A
SCHEMBL28403581 0.80 PTGS1 (0.50) TSHRLMNAHTTF2MAPT
SCHEMBL28404025 0.79 HSP90AA1 (0.41) FABP3FABP4LMNAHTTMAPT
SCHEMBL28551999 0.78 PDCD1 (0.42) TSHRLMNAHTTKMT2AMAPT
SCHEMBL28889571 0.77 BCL2 (0.46) BCL2MCL1GABRA1GABRB1TSHR
SCHEMBL3307626 0.76 FABP3 (0.57) FABP3FABP4LMNAGAAKMT2A

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-1160306-C Slow release of fragrant compounds is perfoumery using 2-benzoyl benzoates, 2-alkanoyl benzoates or alpha-keto esters — 2004-08-04 — — CN disclosed
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