SCHEMBL6548094

SCHEMBL6548094

Cc1cccc(C(C)c2ccccc2)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
ACP3 P15309 1/20 0.40
ESR1 P03372 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
SCN4A P35499 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CYP3A4 P08684 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA1A P35348 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
GRIN2D O15399 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
SCHEMBL2844549 0.90 TYR (0.42) TYRACP3ESR1TSHRSCN4A
SCHEMBL29358402 0.82 ADRA2A (0.47) TYRACP3ESR1TSHRSCN4A
SCHEMBL115911 0.82 ADRA2A (0.47) TYRACP3ESR1TSHRSCN4A
SCHEMBL28666265 0.81 ACP3 (0.50) TYRACP3ESR1TSHRCYP2D6
SCHEMBL3088422 0.81 TSHR (0.41) TYRACP3TSHRSCN4AL3MBTL1
SCHEMBL29638766 0.81 ACP3 (0.50) TYRACP3ESR1TSHRCYP2D6
SCHEMBL710709 0.81 ACP3 (0.50) TYRACP3ESR1TSHRCYP2D6
SCHEMBL10599634 0.80 TYR (0.43) TYRTSHRSLC6A2HTR2CHTR2B
Hydrogen Peroxide SCHEMBL8443355 0.79 GABRA1 (0.50) ACP3ESR1TSHRALDH1A1ALOX15
SCHEMBL4156669 0.79 TYR (0.48) TYRACP3TSHRALDH1A1CYP2D6

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