SCHEMBL6546763

SCHEMBL6546763

C=C(Cc1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CTBP2 P56545 1/20 0.41
SRD5A2 P31213 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
IDO1 P14902 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3B P49841 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAOB P27338 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
SCHEMBL6547240 0.92 ALDH1A1 (0.44) NPC1RAB9AL3MBTL1CTBP2SRD5A2
SCHEMBL6546159 0.92 ALDH1A1 (0.44) NPC1RAB9AL3MBTL1CTBP2SRD5A2
SCHEMBL25107860 0.90 NPC1 (0.42) NPC1RAB9AL3MBTL1CTBP2SRD5A2
SCHEMBL20716178 0.90 KMT2A (0.50) NPC1RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL6546799 0.90 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1CTBP2LMNA
SCHEMBL28555686 0.90 KMT2A (0.50) NPC1RAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL19104060 0.89 NPC1 (0.41) NPC1RAB9AL3MBTL1CTBP2SRD5A2
SCHEMBL28670587 0.87 MAPT (0.54) NPC1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL7542403 0.79 MAPT (0.50) NPC1RAB9AL3MBTL1CTBP2ALDH1A1
SCHEMBL5704306 0.76 ALDH1A1 (0.44) NPC1RAB9ASRD5A2ALDH1A1LMNA

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