SCHEMBL6546798

SCHEMBL6546798

CCc1ccc(C(C)CCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
RIPK1 Q13546 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
OPRK1 P41145 2/20 0.41
BCHE P06276 1/20 0.41
CYP19A1 P11511 1/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL6547048 0.94 RIPK1 (0.48) TP53RIPK1CYP19A1
SCHEMBL1324113 0.86 RIPK1 (0.55) RIPK1CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL14590349 0.84 LOXL2 (0.50) RIPK1CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL13813876 0.83 TP53 (0.54) TP53OPRK1BCHECYP19A1TSHR
SCHEMBL13524707 0.83 TP53 (0.54) TP53OPRK1BCHECYP19A1TSHR
SCHEMBL6546964 0.83 ALDH1A1 (0.54) RIPK1CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL9753130 0.83 HTR2A (0.60) TP53ALDH1A1LMNAADRA2AADRA2B
SCHEMBL6546198 0.81 ESR1 (0.57) TP53TSHRMAPK1ATMTDP1
SCHEMBL28713026 0.81 TSHR (0.38) ALDH1A1CYP19A1TSHRMAPK1ATM
SCHEMBL13814553 0.80 ALDH1A1 (0.43) TP53CYP1A2CYP2C19ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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