SCHEMBL31290574

SCHEMBL31290574

CCCCCCCCOc1cccc2c3c(ccc12)C=CC(C)(C)O3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
HTR1B P28222 2/20 0.39
CYP2C9 P11712 2/20 0.38
HTR1D P28221 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MCHR1 Q99705 2/20 0.36
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL8021994 1.00 CNR1 (0.40) CNR1CNR2MEN1KMT2AHTT
SCHEMBL8899536 0.88 MEN1 (0.32) CNR1CNR2MEN1KMT2AHTT
SCHEMBL8131792 0.87 MEN1 (0.40) CNR1CNR2MEN1KMT2AHTT
SCHEMBL8136944 0.79 CA12 (0.43)
SCHEMBL8899532 0.79 PPARD (0.30)
SCHEMBL6938193 0.76 CNR1 (0.57) CNR1CNR2MEN1KMT2AHTT
SCHEMBL2917038 0.76 CNR1 (0.57) CNR1CNR2MEN1KMT2AHTT
SCHEMBL347409 0.76 CNR1 (0.57) CNR1CNR2MEN1KMT2AHTT
SCHEMBL19612278 0.70 CNR1 (0.47) CNR1CNR2MEN1KMT2AHTT
SCHEMBL23271677 0.69 CNR1 (0.61) CNR1CNR2MEN1KMT2AHTT

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-3521907-B1 PHOTOCHROMIC LENS AND POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2024-12-04 EP disclosed