SCHEMBL6547170

SCHEMBL6547170

CCC=C(c1ccccc1)c1cccc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 3/20 0.44
GPR52 Q9Y2T5 1/20 0.43
PARP1 P09874 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL6547639 0.86 GPR52 (0.44) SMN1; SMN2HPGDTDP1POLBGPR52
SCHEMBL1226475 0.84 MTNR1A (0.52) ALDH1A1MTNR1AMTNR1B
SCHEMBL7923784 0.84 SMN1; SMN2 (0.45) SMN1; SMN2HPGDTDP1POLBGPR52
SCHEMBL7923787 0.84 SMN1; SMN2 (0.45) SMN1; SMN2HPGDTDP1POLBGPR52
SCHEMBL7641156 0.81 HPGD (0.47) SMN1; SMN2HPGDTDP1POLBGPR52
SCHEMBL6546977 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HPGDTDP1POLBGPR52
SCHEMBL10591207 0.81 SMN1; SMN2 (0.52) SMN1; SMN2HPGDTDP1POLBGPR52
SCHEMBL7923324 0.77 SMN1; SMN2 (0.39) SMN1; SMN2POLBGPR52PARP1NPC1
SCHEMBL7923327 0.77 SMN1; SMN2 (0.39) SMN1; SMN2POLBGPR52PARP1NPC1
SCHEMBL19156896 0.76 PARP1 (0.53) SMN1; SMN2HPGDTDP1GPR52PARP1

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