SCHEMBL6547527

SCHEMBL6547527

CC(=CC(C)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.47
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 2/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.38
STAT3 P40763 1/20 0.36
POLB P06746 2/20 0.35
KDM1A O60341 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL6546277 0.93 TRPA1 (0.51) TRPA1CES2CES1LMNAALDH1A1
SCHEMBL6548208 0.89 TRPA1 (0.58) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL6548210 0.89 TRPA1 (0.58) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL10433950 0.84 CES2 (0.42) CES2CES1LMNAALDH1A1SMN1; SMN2
SCHEMBL9586459 0.81 TRPA1 (0.46) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL9586468 0.81 TRPA1 (0.46) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL7199251 0.81 KDM1A (0.41) CES2CES1LMNAALDH1A1SMN1; SMN2
SCHEMBL9586455 0.81 TRPA1 (0.46) TRPA1LMNAALDH1A1MEN1KMT2A
SCHEMBL7803264 0.74 KDM1A (0.42) TRPA1CES2CES1LMNAALDH1A1
SCHEMBL10591109 0.74 KDM1A (0.42) TRPA1CES2CES1LMNAALDH1A1

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