SCHEMBL6546450

SCHEMBL6546450

CCc1cccc(Cc2ccc(C)cc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.39
SRD5A2 P31213 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
IDO1 P14902 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 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
KCNH2 Q12809 2/20 0.36
DAO P14920 1/20 0.36
PTGER1 P34995 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 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
SCHEMBL6546124 0.86 TP53 (0.46) GABRA1GABRB2CNR2SMN1; SMN2ALDH1A1
SCHEMBL11744689 0.83 POLB (0.41) POLBSRD5A2IDO1SMN1; SMN2TDP1
SCHEMBL6547993 0.83 POLB (0.45) POLBSRD5A2PDE3BPDE3AIDO1
SCHEMBL6546935 0.82 PDE3B (0.40) GABRA1GABRB2CNR2POLBSRD5A2
SCHEMBL599099 0.80 GABRA1 (0.57) GABRA1GABRB2TSHRKCNH2DAO
SCHEMBL6546715 0.79 GABRA1 (0.48) GABRA1GABRB2CNR2SMN1; SMN2TSHR
SCHEMBL9403954 0.78 SLC6A2 (0.47) POLBIDO1TDP1TSHRLMNA
Water SCHEMBL28182555 0.78 GABRA1 (0.55) GABRA1GABRB2KCNH2DAOMAPT
Ammonia Solution, Strong SCHEMBL9357829 0.78 GABRA1 (0.55) GABRA1GABRB2KCNH2DAOMAPT
SCHEMBL6546457 0.78 GABRA1 (0.46) GABRA1GABRB2CNR2KMT2A

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