SCHEMBL9516904

SCHEMBL9516904

Cc1ccccc1C(c1ccccc1C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ACHE P22303 2/20 0.45
TSHR P16473 1/20 0.45
FFAR1 O14842 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
ACP3 P15309 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GAA P10253 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
Diethylamine SCHEMBL10603809 0.85 ESR1 (0.41) ESR1ACHETSHRFFAR1GPR84
SCHEMBL23843788 0.82 ESR1 (0.38) ESR1ACHETSHRFFAR1GPR84
SCHEMBL10778610 0.81 MEN1 (0.44) GAATDP1CHRM2DRD3ADRB2
SCHEMBL1726206 0.80 ESR1 (0.48) ESR1ACHETSHRACP3SLC6A2
SCHEMBL18568074 0.79 ESR1 (0.52) ESR1ACHETSHRACP3SLC6A2
Dimethylamine SCHEMBL962868 0.79 ESR1 (0.52) ESR1ACHETSHRACP3SLC6A2
SCHEMBL6546306 0.78 ESR1 (0.56) ESR1ACHETSHRACP3SLC6A2
SCHEMBL146510 0.78 ESR1 (0.56) ESR1ACHETSHRACP3SLC6A2
SCHEMBL5493731 0.78 ESR1 (0.56) ESR1ACHETSHRACP3SLC6A2
SCHEMBL29392590 0.78 ESR1 (0.56) ESR1ACHETSHRACP3SLC6A2

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-0305807-B1 Traction drive fluid IDEMITSU KOSAN CO (JP) 1993-12-22 EP disclosed
EP-0362673-B1 1,1-DICYCLOHEXYL CYCLOALKANE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF AND TRACTION-DRIVE FLUID CONTAINING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-07-28 EP disclosed
US-5107041-A 1,1-DICYCLOHEXYL CYCLOALKANE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF AND TRACTION-DRIVE FLUID CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 1992-04-21 US disclosed
US-4975215-A Hydrogenated dimers, trimers or polymers of terpenes; heat and cold resistance; low viscosity IDEMITSU KOSAN CO., LTD. (JP) 1990-12-04 US disclosed
EP-0362673-A1 1,1-dicyclohexyl cycloalkane derivative, method for the preparation thereof and traction-drive fluid containing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-04-11 EP disclosed
EP-0305807-A2 Traction drive fluid IDEMITSU KOSAN COMPANY LIMITED (JP) 1989-03-08 EP disclosed