SCHEMBL6547045

SCHEMBL6547045

CCc1cccc(C=C(C)c2ccccc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL6546113 0.86 LMNA (0.41) LMNAMAPTNPSR1BRD4CREBBP
SCHEMBL23569554 0.86 LMNA (0.41) LMNAMAPTNPSR1BRD4CREBBP
SCHEMBL6546116 0.86 LMNA (0.41) LMNAMAPTNPSR1BRD4CREBBP
SCHEMBL16857588 0.81 GABRA1 (0.39) LMNAMAPTNPSR1BRD4CREBBP
SCHEMBL11805299 0.80 BRD4 (0.41) LMNAMAPTNPSR1BRD4CREBBP
SCHEMBL6548141 0.80 BRD4 (0.41) LMNAMAPTNPSR1BRD4CREBBP
SCHEMBL472889 0.78 BRD4 (0.40) BRD4CREBBPCYP3A4CYP2C9CYP2C19
SCHEMBL6547041 0.77 BRD4 (0.36) LMNAMAPTNPSR1BRD4CREBBP
SCHEMBL21674106 0.77 ALDH1A1 (0.41) LMNAMAPTNPSR1HTTCYP3A4
SCHEMBL6546371 0.77 BRD4 (0.36) LMNAMAPTNPSR1BRD4CREBBP

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