SCHEMBL6546362

SCHEMBL6546362

C=C(Cc1ccccc1CC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
EGFR P00533 2/20 0.38
ATM Q13315 2/20 0.37
LMNA P02545 1/20 0.37
XBP1 P17861 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6547302 0.85 GABRA1 (0.39) MAOAMAOBGABRA1GABRB2MAPT
SCHEMBL6547299 0.85 MAOA (0.40) MAOAMAOBCES2CES1ATM
SCHEMBL28804356 0.80 HPGD (0.47) MAOAMAOBMAPTALDH1A1
SCHEMBL3918774 0.78 MAPT (0.52) MAPTALDH1A1CES2CES1LMNA
SCHEMBL31112285 0.78 AKR1B1 (0.57) MAOAMAOB
Hydrogen Peroxide SCHEMBL11205186 0.78 GABRA1 (0.60) GABRA1GABRB2MAPTALDH1A1CES2
Hydrogen Peroxide SCHEMBL10890655 0.78 GABRA1 (0.60) GABRA1GABRB2MAPTALDH1A1CES2
SCHEMBL6546365 0.76 TP53 (0.50) MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL7336703 0.76 AKR1B1 (0.41) GABRA1GABRB2MAPTALDH1A1EGFR
SCHEMBL6546538 0.76 LMNA (0.40) MAOAMAOBGABRA1GABRB2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013897-A1 TYRE FOR VEHICLE WHEELS Pirelli Tyre S.p.A. (IT) 2016-05-04 EP disclosed
WO-2014207639-A1 TYRE FOR VEHICLE WHEELS PIRELLI TYRE S.P.A. (IT) 2014-12-31 WO disclosed
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