SCHEMBL6546099

SCHEMBL6546099

CCCc1ccccc1Cc1ccc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TNF P01375 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.37
PYCR1 P32322 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL6546220 0.87 RAB9A (0.44) RAB9ASMN1; SMN2LMNAHTTTNF
SCHEMBL20841678 0.84 TAAR1 (0.40) RAB9ASMN1; SMN2LMNAHTTTNF
SCHEMBL6546756 0.83 TAAR1 (0.48) MAPTCNR1CNR2TAAR1TSHR
SCHEMBL11323610 0.83 TAAR1 (0.43) RAB9ASMN1; SMN2LMNAHTTTNF
SCHEMBL598097 0.82 TAAR1 (0.43) RAB9ASMN1; SMN2LMNAHTTTNF
Ammonia Solution, Strong SCHEMBL6190617 0.81 TAAR1 (0.42) RAB9ASMN1; SMN2LMNAHTTTNF
SCHEMBL5437047 0.80 HTR2A (0.43) TAAR1KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL3299248 0.80 PYCR1 (0.47) RAB9ASMN1; SMN2LMNAHTTTNF
SCHEMBL6547395 0.79 RAB9A (0.44) RAB9ASMN1; SMN2LMNAHTTTNF
SCHEMBL8093886 0.77 TAAR1 (0.40) CNR1CNR2TAAR1SLC6A2SLC6A4

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