SCHEMBL8679266

SCHEMBL8679266

CCc1ccc(-c2ccccc2)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.50
PDCD1 Q15116 3/20 0.50
PTGS1 P23219 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ESR2 Q92731 1/20 0.38
DPP4 P27487 1/20 0.38
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
PTGS2 P35354 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8679020 0.84 CD274 (0.47) CD274PDCD1PTGS1PARP10PARP11
SCHEMBL9342239 0.84 PDCD1 (0.47) CD274PDCD1PTGS1PARP10PARP11
SCHEMBL607544 0.83 CD274 (0.71) CD274PDCD1PTGS1DPP4KMT2A
SCHEMBL19567446 0.82 PDCD1 (0.46) CD274PDCD1PTGS1ESR2BACE1
SCHEMBL1646438 0.82 PDCD1 (0.42) CD274PDCD1PTGS1PARP10PARP11
SCHEMBL9792869 0.82 PDCD1 (0.54) CD274PDCD1PTGS1PARP10PARP11
SCHEMBL8679942 0.81 PDCD1 (0.44) CD274PDCD1PTGS1
SCHEMBL5382426 0.81 PTGS1 (0.61) CD274PDCD1PTGS1KMT2APTGS2
SCHEMBL28006147 0.81 PDCD1 (0.44) CD274PDCD1PTGS1PARP10PARP11
Ammonia Solution, Strong SCHEMBL2967636 0.80 CD274 (0.47) CD274PDCD1PTGS1PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739071-A Method and apparatus for regeneratinig and stabilizing dehydrogenation catalysts RAYTHEON ENGINEERS & CONSTRUCTORS, INC. (US) 1998-04-14 US claimed
US-5686369-A IRON OXIDE, ALKALI METAL COMPOUND RAYTHEON ENGINEERS & CONSTRUCTORS, INC. (US) 1997-11-11 US claimed
US-5019155-A Herbicidal granular compositions AMERICAN CYANAMID COMPANY (US) 1991-05-28 US claimed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed
US-5019155-A Herbicidal granular compositions AMERICAN CYANAMID COMPANY (US) 1991-05-28 US disclosed
US-4064187-A FERRIC OXIDE, ZINC OXIDE, SODIUM OR POTASSIUM CHROMATE, POTASSIUM CARBONATE, OXIDE OR HYDROXIDE THE DOW CHEMICAL COMPANY (US) 1977-12-20 US disclosed