SCHEMBL6545944

SCHEMBL6545944

CCCc1c(C)cccc1Cc1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 1/20 0.38
NOS2 P35228 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CXCR5 P32302 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35
CTBP2 P56545 1/20 0.35
AR P10275 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GABRA1 P14867 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) TAAR1TSHRLDHALDHBKDM4E
SCHEMBL3468883 0.84 TAAR1 (0.42) TAAR1TSHRUSP2KMT2AAR
SCHEMBL2844544 0.84 USP2 (0.45) TAAR1TSHRUSP2KMT2ACNR2
SCHEMBL1263570 0.84 NOS2 (0.42) TAAR1TSHRNOS2LDHALDHB
SCHEMBL9839949 0.84 NOS2 (0.42) TAAR1TSHRNOS2KMT2ALDHA
SCHEMBL9656297 0.82 TSHR (0.45) TAAR1TSHRNOS2LDHALDHB
SCHEMBL6546756 0.82 TAAR1 (0.48) TAAR1TSHRKMT2ACNR1CNR2
SCHEMBL6545934 0.81 SLC5A1 (0.40) TAAR1TSHRNOS2LDHALDHB
SCHEMBL8086373 0.79 TAAR1 (0.48) TAAR1TSHRUSP2KMT2AALDH1A1
SCHEMBL3608051 0.79 LIPG (0.49) CNR1CNR2GPR55

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