SCHEMBL6546993

SCHEMBL6546993

CCCc1ccccc1C(C)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
ESR1 P03372 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HTR1A P08908 1/20 0.35
CYSLTR2 Q9NS75 5/20 0.34
CYSLTR1 Q9Y271 5/20 0.34
TSHR P16473 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL9621039 0.90 ADRA2A (0.46) ADRA2AADRA2BADRA2CHTR1ACYSLTR2
SCHEMBL6546213 0.85 ESR1 (0.42) ADRA2AADRA2BADRA2CESR1TAAR1
SCHEMBL10602405 0.80 ADRA2A (0.40) ADRA2AADRA2BADRA2CTAAR1CYSLTR2
SCHEMBL24450618 0.80 ADRA2A (0.38) ADRA2AADRA2BADRA2CESR1TAAR1
SCHEMBL146510 0.79 ESR1 (0.56) ADRA2AADRA2BADRA2CESR1TSHR
SCHEMBL6546081 0.79 ADRA2A (0.42) ADRA2AADRA2BADRA2CTAAR1CYSLTR2
SCHEMBL9621646 0.79 CYSLTR2 (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL9621449 0.79 ADRA2A (0.38) ADRA2AADRA2BADRA2CHTR1ATSHR
Diethylamine SCHEMBL8074084 0.79 ESR1 (0.43) ADRA2AADRA2BADRA2CESR1TSHR
SCHEMBL4843352 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CHTR1ACYSLTR2

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