SCHEMBL11536611

SCHEMBL11536611

COc1ccccc1C1CC(C)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 1/20 0.49
CYP19A1 P11511 1/20 0.45
HTR2C P28335 3/20 0.43
POLL Q9UGP5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL23002152 0.80 DDB1 (0.50) MEN1KMT2AUSP2HTR2CL3MBTL1
SCHEMBL512007 0.80 CYP19A1 (0.48) MEN1KMT2AUSP2CYP19A1HTR2C
SCHEMBL15874851 0.78 CYP19A1 (0.47) MEN1KMT2AUSP2CYP19A1HTR2C
SCHEMBL1616886 0.78 CYP19A1 (0.47) MEN1KMT2AUSP2CYP19A1HTR2C
SCHEMBL30496207 0.78 CYP19A1 (0.47) MEN1KMT2AUSP2CYP19A1HTR2C
SCHEMBL10615961 0.77 MEN1 (0.46) MEN1KMT2AUSP2CYP19A1HTR2C
SCHEMBL8398502 0.75 HTR2C (0.47) MEN1KMT2AUSP2CYP19A1HTR2C
SCHEMBL23003290 0.75 NR3C1 (0.46) GAA
SCHEMBL21722195 0.74 CASP3 (0.38) ALDH1A1MAPTTDP1KDM4EGAA
SCHEMBL11475323 0.74 MT-CO2 (0.46) MEN1KMT2AALDH1A1

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-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 US disclosed