SCHEMBL6546764

SCHEMBL6546764

Cc1ccc(C=CC(C)c2ccccc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NFE2L2 Q16236 1/20 0.36
NQO2 P16083 1/20 0.35
ACP3 P15309 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TRPA1 O75762 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
SCHEMBL6548129 0.82 ALDH1A1 (0.42) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL6548122 0.82 ALDH1A1 (0.42) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL31457125 0.75 CYP3A4 (0.44) ALDH1A1KDM4ELMNAMAPTALOX12
SCHEMBL6546760 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPOLBALOX12
SCHEMBL6546420 0.73 AMY1A (0.47) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL11323718 0.73 AMY1A (0.47) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL16105579 0.73 NFE2L2 (0.51) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6547378 0.73 NFE2L2 (0.51) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL16105505 0.73 NFE2L2 (0.51) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL6546342 0.72 RAB9A (0.47) ALDH1A1NPSR1MEN1KMT2AHTT

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 3 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-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