SCHEMBL6547048

SCHEMBL6547048

CCc1ccc(CCC(C)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
TP53 P04637 1/20 0.48
TAAR1 Q96RJ0 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.42
TRPA1 O75762 2/20 0.42
AOC3 Q16853 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL6546798 0.94 TP53 (0.52) RIPK1TP53CYP19A1
SCHEMBL1324113 0.88 RIPK1 (0.55) RIPK1TAAR1TRPA1AOC3
SCHEMBL6546640 0.85 ALDH1A1 (0.50) RIPK1TAAR1MEN1KMT2ATRPA1
SCHEMBL10672128 0.83 TRPA1 (0.49) RIPK1TAAR1MEN1KMT2ATRPA1
SCHEMBL6547043 0.81 RIPK1 (0.48) RIPK1TAAR1TRPA1AOC3
SCHEMBL15144852 0.80 AOC3 (0.44) RIPK1TAAR1MEN1KMT2AAOC3
SCHEMBL6547237 0.80 ESR1 (0.53) RIPK1TP53TAAR1TRPA1AOC3
SCHEMBL9587809 0.79 SLC6A3 (0.47) RIPK1TAAR1
SCHEMBL28361302 0.79 RIPK1 (0.47) RIPK1TAAR1MEN1KMT2ATRPA1
SCHEMBL28713026 0.79 TSHR (0.38) TAAR1CYP19A1

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