SCHEMBL6545934

SCHEMBL6545934

CCCc1c(C)cccc1Cc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.40
SLC5A2 P31639 2/20 0.40
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
KCNH2 Q12809 1/20 0.37
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
NOS2 P35228 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 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
SCHEMBL6547753 0.87 LDHA (0.48) LDHALDHBTSHRTAAR1CYP3A4
SCHEMBL6545944 0.81 TAAR1 (0.44) LDHALDHBTSHRNOS2TAAR1
SCHEMBL9839949 0.81 NOS2 (0.42) LDHALDHBTSHRNOS2TAAR1
SCHEMBL1263570 0.81 NOS2 (0.42) LDHALDHBTSHRNOS2TAAR1
SCHEMBL6546751 0.79 HTR2A (0.47) SLC5A1SLC5A2TSHRPOLBTAAR1
SCHEMBL9656297 0.79 TSHR (0.45) LDHALDHBTSHRNOS2TAAR1
SCHEMBL11435523 0.78 IDO1 (0.42) KCNH2TSHRPOLBTAAR1CYP1A2
SCHEMBL6546935 0.78 PDE3B (0.40) SLC5A1SLC5A2KCNH2TSHRPOLB
SCHEMBL10598924 0.77 HTR2A (0.48) LDHALDHBTAAR1
SCHEMBL15050026 0.76 NOS2 (0.48) TSHRNOS2TAAR1CYP1A2CYP2A6

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