SCHEMBL6546231

SCHEMBL6546231

CCC(c1ccccc1C)c1cccc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ADRA2A P08913 5/20 0.39
ADRA2B P18089 5/20 0.39
ADRA1A P35348 4/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL5610783 0.94 ADRA2A (0.41) ESR1ADRA2AADRA2BADRA1ACYP2D6
SCHEMBL6547004 0.89 ESR1 (0.50) ESR1ADRA2AADRA2BADRA1ACYP2D6
SCHEMBL2413915 0.88 HTR2A (0.42) ESR1ADRA2AADRA2BADRA1ACYP2D6
Ammonia Solution, Strong SCHEMBL6000450 0.87 ESR1 (0.48) ESR1ADRA2AADRA2BADRA1ACYP2D6
SCHEMBL2350960 0.81 HTR2A (0.50) ESR1ADRA2AADRA2BADRA1ACYP2D6
Benzylamine SCHEMBL10781356 0.81 LOXL2 (0.52) ESR1ADRA2AADRA2BADRA1ACYP2D6
Diethylamine SCHEMBL8172450 0.80 ESR1 (0.42) ESR1ADRA2AADRA2BADRA1ACYP2D6
SCHEMBL6546848 0.78 ESR1 (0.41) ESR1ADRA2AADRA2BADRA1ACYP2D6
SCHEMBL10822146 0.78 FFAR1 (0.41) ESR1ADRA2AADRA2BADRA1ACYP2D6
SCHEMBL6547345 0.77 ESR1 (0.39) ESR1ADRA2AADRA2BADRA1ACYP2D6

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 7 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
EP-0138741-B1 TEMPERATURE-INDICATING SHEET Matsumoto Kosan Kabushiki Kaisha (JP) 1990-11-07 EP disclosed
US-4601588-A COMPONENT WHICH MELTS AT A PORESCRIBED TEMPERATURE AND CHANGES COLOR, INDICATING FRESHNESS OF FROZEN FOODS MATSUMOTO KOSAN KABUSHIKI KAISHA (JP) 1986-07-22 US disclosed
EP-0138741-A2 Temperature-indicating sheet Matsumoto Kosan Kabushiki Kaisha (JP) 1985-04-24 EP disclosed