SCHEMBL10340344

SCHEMBL10340344

CCC(O)C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.62
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
REN P00797 6/20 0.43
ACACB O00763 3/20 0.42
RECQL P46063 1/20 0.40
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
EPHX1 P07099 1/20 0.39
COPS5 Q92905 1/20 0.38
LMNA P02545 1/20 0.38
TYR P14679 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
SCHEMBL113650 0.85 TP53 (0.56) TRPA1TP53TSHRACACBRECQL
SCHEMBL8338248 0.83 TP53 (0.55) TRPA1TP53TSHRRENACACB
SCHEMBL1695818 0.79 TRPA1 (0.69) TRPA1TP53RECQLLMNA
SCHEMBL18253225 0.79 TSHR (0.58) TP53TSHRRENACACBRECQL
SCHEMBL8679307 0.79 TSHR (0.58) TP53TSHRRENACACBRECQL
SCHEMBL18456337 0.77 TRPA1 (1.00) TRPA1SIGMAR1LMNA
SCHEMBL12768230 0.77 TRPA1 (1.00) TRPA1SIGMAR1LMNA
SCHEMBL10340199 0.76 TP53 (0.51) TRPA1TP53TSHRRENACACB
SCHEMBL10603345 0.76 SIGMAR1 (0.50) TP53TSHREBPSIGMAR1
SCHEMBL11488062 0.76 TSHR (0.55) TRPA1TP53TSHRACACBEBP

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
EP-0185872-B1 1-PHENYL-2-METHYL-3-HYDROXY-(3-ACYLOXY)-ALKYL COMPOUNDS AND THEIR USE AS PERFUMES BASF Aktiengesellschaft (DE) 1990-02-07 EP disclosed
EP-0185872-A1 1-Phenyl-2-methyl-3-hydroxy-(3-acyloxy)-alkyl compounds and their use as perfumes BASF Aktiengesellschaft (DE) 1986-07-02 EP disclosed