SCHEMBL3634935

SCHEMBL3634935

CCc1ccc(C(CC)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 5/20 0.46
HRH1 P35367 3/20 0.46
LMNA P02545 2/20 0.46
CYP19A1 P11511 1/20 0.46
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL11672061 0.93 TSHR (0.54) TP53CRHBPCRHR2L3MBTL1TDP1
SCHEMBL12506256 0.88 HTR2A (0.56) TDP1HTR2AHRH1LMNATAAR1
SCHEMBL15347956 0.86 HTR2A (0.53) TDP1HTR2AHRH1LMNAOPRM1
SCHEMBL54346 0.85 HTR2A (0.59) TDP1HTR2AHRH1LMNATAAR1
SCHEMBL6547305 0.84 ATM (0.47) TP53CRHBPCRHR2L3MBTL1TDP1
SCHEMBL6895362 0.84 CALM1 (0.52) TP53TDP1HTR2AHRH1LMNA
SCHEMBL14361867 0.84 TP53 (0.59) TP53CRHBPCRHR2L3MBTL1TDP1
Ammonia Solution, Strong SCHEMBL10389261 0.83 HTR2A (0.56) TDP1TSHRHTR2AHRH1LMNA
SCHEMBL29268835 0.83 HTR2A (0.56) TDP1TSHRHTR2AHRH1LMNA
Ammonia Solution, Strong SCHEMBL5683105 0.83 HTR2A (0.56) TDP1TSHRHTR2AHRH1LMNA

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
EP-2158233-A2 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION Albermarle Corporation (US) 2010-03-03 EP disclosed
WO-2008154454-A2 ADDUCTS, ADDUCTS AND OLIGOMERS, OR ADDUCTS, OLIGOMERS AND LOW MOLECULAR WEIGHT POLYMERS, AND THEIR PREPARATION ALBEMARLE CORPORATION (US) 2008-12-18 WO disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
CN-1040321-C Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating HIV and other retroviruses UPJOHN CO (US) 1998-10-21 CN disclosed
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