SCHEMBL6546846

SCHEMBL6546846

CC=C(c1cccc(C)c1)c1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
GPR52 Q9Y2T5 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6546977 0.76 SMN1; SMN2 (0.52) POLBHPGDTDP1NPC1RAB9A
SCHEMBL6546774 0.76 POLB (0.42) POLBHPGDTDP1NPC1RAB9A
SCHEMBL6546331 0.76 POLB (0.42) POLBHPGDTDP1NPC1RAB9A
SCHEMBL6546899 0.75 HPGD (0.45) HPGDSMN1; SMN2MEN1KMT2AGPR52
SCHEMBL6546336 0.73 PARP1 (0.43) POLBHPGDTDP1NPC1RAB9A
SCHEMBL24385109 0.72 ALDH1A1 (0.35) POLBRAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6547236 0.71 KDM4E (0.42) POLBHPGDTDP1NPC1RAB9A
SCHEMBL15626661 0.71 POLB (0.56) POLBHPGDTDP1PARP1LMNA
SCHEMBL6547170 0.70 SMN1; SMN2 (0.46) POLBHPGDTDP1NPC1RAB9A
SCHEMBL19959675 0.69 PTGS2 (0.39) LMNAKCNK3KCNK9ALDH1A1MAPT

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