SCHEMBL6161602

SCHEMBL6161602

C[C](C)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CPA3 P15088 3/20 0.52
CPA1 P15085 2/20 0.52
FOLH1 Q04609 1/20 0.52
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
TAAR1 Q96RJ0 4/20 0.50
SLC6A2 P23975 2/20 0.50
TRPA1 O75762 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50

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
SCHEMBL6163140 0.85 CYP1A2 (0.50) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL11624296 0.82 CSNK1E (0.49) CYP1A2CPA3FOLH1
SCHEMBL497369 0.81 CYP1A2 (0.68) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL28805380 0.81 CYP1A2 (0.56) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL9513107 0.80 TRPA1 (0.52) CYP1A2TAAR1SLC6A2TRPA1SIGMAR1
SCHEMBL107422 0.79 CYP1A2 (0.65) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL4451600 0.79 CYP1A2 (0.65) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL28912638 0.79 CYP1A2 (0.65) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL4724923 0.79 CYP1A2 (0.65) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL2588080 0.79 CYP1A2 (0.65) CYP1A2CPA3CPA1FOLH1CPB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021132001-A1 LIGHT DIFFUSION PLATE AND DIRECT SURFACE LIGHT SOURCE UNIT デンカ株式会社 2021-07-01 WO disclosed
EP-1129070-A4 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-03-02 EP disclosed
EP-1129070-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-05 EP disclosed
WO-2000027811-A1 NEUROTROPHIC DIAMIDE AND CARBAMATE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-18 WO disclosed
US-5824799-A A SILICON FLUORESCENT DYES FOR DETECTING ANALYTE IN IMMUNOASSAYS BIOSITE DIAGNOSTICS INCORPORATED (US) 1998-10-20 US disclosed
EP-0820489-A1 HYBRID PHTHALOCYANINE DERIVATIVES AND THEIR USES BIOSITE DIAGNOSTICS INC. (US) 1998-01-28 EP disclosed
US-4107418-A OF AN ACRYLIC MONOMER AND ANOTHER UNSATURATED MONOMER; CATALYST COMPRISING AN ORGANOALUMINUM HALIDE AND ORGANIC PEROXIDE MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1978-08-15 US disclosed