SCHEMBL6546243

SCHEMBL6546243

Cc1ccc(CCc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 3/20 0.48
CNR2 P34972 2/20 0.46
KCNH2 Q12809 1/20 0.45
DAO P14920 1/20 0.43
CHKA P35790 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
DHFR P00374 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL10729588 0.90 IDO1 (0.56) IDO1DHFRMEN1LMNAKMT2A
SCHEMBL6546912 0.86 BCHE (0.51) BCHEACHECYP1A2CYP2A6TAAR1
SCHEMBL29291900 0.86 ACHE (0.45) BCHEACHECYP1A2CYP2A6TAAR1
P-Cymene SCHEMBL1697748 0.84 ACHE (0.53) BCHEACHEIDO1CNR2LMNA
P-Cymene SCHEMBL1143 0.84 ACHE (0.53) BCHEACHEIDO1CNR2LMNA
SCHEMBL9875923 0.82 BCHE (0.40) BCHEACHECYP1A2CYP2A6TAAR1
P-Cymene SCHEMBL31606590 0.82 ACHE (0.50) BCHEACHEIDO1CNR2LMNA
P-Cymene SCHEMBL31578509 0.82 ACHE (0.50) BCHEACHEIDO1CNR2MAPT
P-Cymene SCHEMBL4860410 0.82 ACHE (0.50) BCHEACHEIDO1CNR2LMNA
P-Cymene SCHEMBL13735610 0.82 ACHE (0.50) BCHEACHEIDO1CNR2LMNA

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