SCHEMBL6548141

SCHEMBL6548141

C/C(=C\c1cccc(C)c1C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
TRPA1 O75762 2/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
HPGD P15428 2/20 0.33
PLA2G1B P04054 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 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
SCHEMBL11805299 1.00 BRD4 (0.41) BRD4CREBBPTRPA1ATMALDH1A1
SCHEMBL25622621 0.86 TSHR (0.45) BRD4CREBBPALDH1A1TSHRKDM1A
SCHEMBL842429 0.86 TSHR (0.45) BRD4CREBBPALDH1A1TSHRKDM1A
SCHEMBL472889 0.84 BRD4 (0.40) BRD4CREBBPALDH1A1TSHRKDM1A
SCHEMBL22597894 0.80 ALDH1A1 (0.46) BRD4CREBBPALDH1A1TSHRCYP1A2
SCHEMBL10433951 0.80 KDM1A (0.35) BRD4CREBBPKDM1ACYP1A2CYP2C9
SCHEMBL6547045 0.80 LMNA (0.40) BRD4CREBBPALDH1A1CYP1A2CYP2C9
SCHEMBL9366890 0.80 BRD4 (0.38) BRD4CREBBPATMALDH1A1TSHR
SCHEMBL28274189 0.77 TRPA1 (0.34) TRPA1ATMALDH1A1TSHRCYP1A2
SCHEMBL10821352 0.76 KDM1A (0.37) ALDH1A1KDM1ACYP1A2CYP2C9CYP2C19

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