SCHEMBL6546473

SCHEMBL6546473

C=C(Cc1ccccc1)c1ccc(C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD11B1 P28845 1/20 0.44
NFE2L2 Q16236 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 4/20 0.40
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 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
SCHEMBL28555686 0.78 KMT2A (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL11829383 0.74 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2HSD11B1NFE2L2
SCHEMBL6546465 0.74 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1TDP1GAALMNA
SCHEMBL28012796 0.73 RAB9A (0.59) NPC1RAB9ASMN1; SMN2HSD11B1NFE2L2
SCHEMBL6546292 0.73 NFE2L2 (0.46) NPC1RAB9ASMN1; SMN2HSD11B1NFE2L2
SCHEMBL28538158 0.71 TP53 (0.53) NPC1RAB9AL3MBTL1GAALMNA
SCHEMBL20114138 0.71 ALDH1A1 (0.36) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL6547363 0.71 TDP1 (0.48) NPC1RAB9ASMN1; SMN2HSD11B1NFE2L2
SCHEMBL29883022 0.71 TDP1 (0.48) NPC1RAB9ASMN1; SMN2HSD11B1NFE2L2
SCHEMBL21473089 0.71 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1GAAALDH1A1LMNA

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