SCHEMBL23718853

SCHEMBL23718853

CC(C)OC(=O)C[C@H]1C[C@H](C)CC[C@H]1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.46
TRPM8 Q7Z2W7 4/20 0.44
TRPA1 O75762 2/20 0.44
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 5/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL4885292 0.84 EPHX1 (0.46) EPHX1TRPM8TRPA1CYP19A1ALDH1A1
SCHEMBL9996875 0.83 EPHX1 (0.45) EPHX1TRPM8TRPA1CYP19A1ALDH1A1
SCHEMBL457824 0.80 EPHX1 (0.51) EPHX1TRPM8TRPA1CYP19A1TRPV1
SCHEMBL9951381 0.80 EPHX1 (0.51) EPHX1TRPM8TRPA1CYP19A1ALDH1A1
SCHEMBL9951688 0.80 EPHX1 (0.51) EPHX1TRPM8TRPA1CYP19A1ALDH1A1
SCHEMBL9951572 0.80 EPHX1 (0.51) EPHX1TRPM8TRPA1CYP19A1TRPV1
SCHEMBL28350744 0.80 EPHX1 (0.51) EPHX1TRPM8TRPA1CYP19A1ALDH1A1
SCHEMBL10028627 0.78 EPHX1 (0.59) EPHX1TRPM8TRPA1CYP19A1ALDH1A1
SCHEMBL20058320 0.77 P2RX4 (0.52) EPHX1CYP19A1ALDH1A1USP2LMNA
SCHEMBL16304051 0.77 P2RX4 (0.52) EPHX1CYP19A1ALDH1A1USP2LMNA

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
EP-3445743-B1 PRODRUG OF AMINO ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2021-08-04 EP disclosed