SCHEMBL6546133

SCHEMBL6546133

CCCc1cccc(C)c1-c1ccccc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ MYC P01106 1/20 0.40
▸ DHFR P00374 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ HEXA P06865 1/20 0.37
▸ HEXB P07686 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ GABRA1 P14867 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ CA12 O43570 1/20 0.36

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
SCHEMBL1132663 0.87 MYC (0.50) TAAR1MYCDHFRHEXAHEXB
SCHEMBL27930848 0.83 PDCD1 (0.46) TAAR1MYCCA1CA9CA2
SCHEMBL14877332 0.82 TAAR1 (0.46) TAAR1GABRA1GABRB2CA1CA9
SCHEMBL26968755 0.79 ELANE (0.41) TAAR1MYCELANECTSGHEXA
SCHEMBL16656186 0.79 ELANE (0.52) ELANECTSGCA1CA9CA2
SCHEMBL6546844 0.78 CD274 (0.43) DHFRELANECTSGCSNK2A2CSNK2B
SCHEMBL6547458 0.78 TAAR1 (0.44) TAAR1DHFRHEXAHEXBHTR7
SCHEMBL1133085 0.76 PDK2 (0.49) CSNK2A2CSNK2BCSNK2A1CSNK2A3GABRA1
SCHEMBL28806791 0.75 PDCD1 (0.49) MYCPDK2CA1CA9CA2
SCHEMBL9188468 0.75 ELANE (0.39) ELANECTSGGABRA1GABRB2PDK2

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
Send feedback