SCHEMBL6546935

SCHEMBL6546935

CCc1cccc(Cc2ccc(C)cc2)c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HTR1A P08908 1/20 0.38
SRD5A2 P31213 1/20 0.37
CNR2 P34972 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.35
KCNH2 Q12809 2/20 0.35
DAO P14920 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
SCHEMBL6546008 0.84 TP53 (0.46) GABRA1GABRB2TAAR1HTR1ASMN1; SMN2
SCHEMBL6546450 0.82 GABRA1 (0.40) PDE3BPDE3AGABRA1GABRB2POLB
SCHEMBL6547993 0.82 POLB (0.45) PDE3BPDE3APOLBSRD5A2SLC5A2
SCHEMBL8051825 0.81 GABRA1 (0.56) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL11203713 0.81 HTR2A (0.46) GABRA1GABRB2SMN1; SMN2
SCHEMBL10599555 0.79 TP53 (0.50) HTR1A
SCHEMBL245773 0.78 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL6546938 0.78 GABRA1 (0.45) GABRA1GABRB2TAAR1HTR1ACNR2
SCHEMBL6545934 0.78 SLC5A1 (0.40) PDE3BPDE3APOLBTAAR1CNR2
SCHEMBL10921047 0.77 GABRA1 (0.43) GABRA1GABRB2TAAR1HTR1ACNR2

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