SCHEMBL6546433

SCHEMBL6546433

C/C(=C/c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
AKR1C3 P42330 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FBP1 P09467 1/20 0.41
TRPA1 O75762 1/20 0.40
KDM1A O60341 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6546438 1.00 ALDH1A1 (0.45) ALDH1A1TSHRAKR1C3NPC1RAB9A
SCHEMBL19732123 0.81 NPC1 (0.51) ALDH1A1TSHRAKR1C3NPC1RAB9A
SCHEMBL24831361 0.80 TRPA1 (0.44) ALDH1A1TSHRTRPA1PTGS2ALOX15
SCHEMBL3477350 0.80 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3NPC1RAB9A
Hydrogen Peroxide SCHEMBL10779602 0.80 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3NPC1RAB9A
SCHEMBL14626760 0.78 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3NPC1RAB9A
SCHEMBL14626584 0.78 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3NPC1RAB9A
SCHEMBL6547512 0.77 ALDH1A1 (0.39) ALDH1A1TSHRTRPA1RECQLTDP1
SCHEMBL31186217 0.76 PTGS2 (0.42) ALDH1A1TSHRAKR1C3PTGS2
SCHEMBL30491143 0.76 PTGS2 (0.42) ALDH1A1TSHRAKR1C3PTGS2

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