SCHEMBL9130646

SCHEMBL9130646

CCC(C)[C](CCc1ccc2c(c1)OCO2)c1ccccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.46
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.44
CALM1 P0DP23 2/20 0.43
HPGD P15428 2/20 0.43
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TRPA1 O75762 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9130508 0.78 ALDH1A1 (0.40) RECQLTRPA1MEN1KMT2A
SCHEMBL29958522 0.70 CALM1 (0.52) TRPM8KDM4EPOLBRECQLCALM1
SCHEMBL28999859 0.68 ALDH1A1 (0.53) TRPM8LMNAMEN1KMT2A
SCHEMBL13545151 0.67 TRPM8 (0.57) TRPM8CALM1TAAR1TRPA1
SCHEMBL429483 0.67 TAAR1 (0.67) KDM4ELMNACALM1TAAR1SLC6A2
SCHEMBL9131668 0.67 CYP1A2 (0.45) MEN1KMT2A
SCHEMBL29364835 0.67 CYP3A4 (0.62) TRPM8LMNACALM1TAAR1
SCHEMBL7406 0.67 CYP3A4 (0.62) TRPM8LMNACALM1TAAR1
SCHEMBL2485767 0.67 TAAR1 (0.57) CALM1HPGDTAAR1SLC6A2SLC6A4
SCHEMBL28123545 0.67 TAAR1 (0.57) CALM1HPGDTAAR1SLC6A2SLC6A4

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-5430155-A Viricides, treatment of AIDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-04 US disclosed