SCHEMBL6547925

SCHEMBL6547925

CC(=Cc1ccccc1)C(C)(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
AKR1C3 P42330 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
FBP1 P09467 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM1A O60341 1/20 0.39
RECQL P46063 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL6547922 1.00 ALDH1A1 (0.45) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL11787435 0.80 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3KMT2AFBP1
SCHEMBL5549015 0.80 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3KMT2AFBP1
Phosphine SCHEMBL11447782 0.78 AKR1C3 (0.48) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL28349681 0.75 KMT2A (0.50) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL9227437 0.74 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3KMT2AFBP1
SCHEMBL9227444 0.74 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3KMT2AFBP1
SCHEMBL11505025 0.72 MAPT (0.56) ALDH1A1TSHRMAPTKMT2ACYP2C19
SCHEMBL28448194 0.72 ALDH1A1 (0.42) ALDH1A1TSHRAKR1C3MAPTKMT2A
SCHEMBL12802151 0.72 ALDH1A1 (0.42) ALDH1A1TSHRAKR1C3MAPTKMT2A

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