SCHEMBL6547400

SCHEMBL6547400

Cc1ccccc1CCC(C)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
ESR1 P03372 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP19A1 P11511 2/20 0.37
DAO P14920 1/20 0.36
CA12 O43570 1/20 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
CA14 Q9ULX7 1/20 0.36
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34

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
SCHEMBL7176631 0.83 ESR1 (0.50) ESR1SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL11210722 0.83 TAAR1 (0.41) TAAR1SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL6546634 0.81 RIPK1 (0.48) TAAR1SLC6A2SLC6A4CYP19A1
SCHEMBL6547208 0.80 ESR1 (0.43) TAAR1ESR1SLC6A2SLC6A4SLC6A3
SCHEMBL3047458 0.79 TAAR1 (0.56) TAAR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL11800593 0.78 ESR1 (0.45) ESR1SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL1716142 0.76 TAAR1 (0.52) TAAR1SLC6A2SLC6A4SLC6A3DAO
SCHEMBL19985073 0.76 ESR1 (0.43) ESR1SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL22416799 0.76 ESR1 (0.43) ESR1SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL17755167 0.76 ESR1 (0.43) TAAR1ESR1SLC6A4CYP19A1TSHR

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