SCHEMBL6546977

SCHEMBL6546977

CC=C(c1ccccc1)c1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 3/20 0.49
PARP1 P09874 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ACHE P22303 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BCHE P06276 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL10591207 0.88 SMN1; SMN2 (0.52) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL496557 0.82 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL6546611 0.81 SMN1; SMN2 (0.50) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL6547170 0.81 SMN1; SMN2 (0.46) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL8999092 0.80 PDE4A (0.59) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL8999095 0.80 PDE4A (0.59) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL7923784 0.80 SMN1; SMN2 (0.45) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL7923787 0.80 SMN1; SMN2 (0.45) SMN1; SMN2POLBPARP1MEN1KMT2A
SCHEMBL28329615 0.80 SMN1; SMN2 (0.45) SMN1; SMN2POLBPARP1MEN1KMT2A
Water SCHEMBL19100116 0.79 ALDH1A1 (0.43) KMT2AMAPTALDH1A1TDP1

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