SCHEMBL6547458

SCHEMBL6547458

CCCc1cccc(C)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
FABP4 P15090 1/20 0.38
HTR7 P34969 2/20 0.38
DHFR P00374 2/20 0.36
FFAR1 O14842 1/20 0.36
GCGR P47871 1/20 0.36
RXRA P19793 1/20 0.35
DPP4 P27487 1/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
CTBP2 P56545 1/20 0.35
RPA1 P27694 1/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6546954 0.89 HSD11B1 (0.41) TAAR1DHFRGCGRMCL1TSHR
SCHEMBL6547350 0.87 DHFR (0.47) TAAR1DHFRGCGRMCL1
SCHEMBL27930848 0.86 PDCD1 (0.46) TAAR1MAPTPDCD1CD274HTR7
SCHEMBL14877332 0.86 TAAR1 (0.46) TAAR1HTR7ALDH1A1TSHR
SCHEMBL21811722 0.84 ESR1 (0.45) TAAR1
SCHEMBL9842487 0.81 PDCD1 (0.47) MAPTPDCD1CD274DHFRGCGR
SCHEMBL23347216 0.80 SCN8A (0.43) TAAR1MAPTPDCD1CD274FABP4
SCHEMBL4368693 0.80 PDCD1 (0.43) TAAR1PDCD1CD274FABP4HTR7
SCHEMBL8683332 0.80 SLC6A2 (0.42) TAAR1PDCD1CD274FABP4HTR7
SCHEMBL3790918 0.80 DPP4 (0.52) TAAR1PDCD1CD274FABP4HTR7

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