SCHEMBL6559740

SCHEMBL6559740

CC(c1ccccc1)c1cccc(C(C)c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR2C P28335 1/20 0.40
TLR8 Q9NR97 1/20 0.38
TYR P14679 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL4333513 0.87 HTT (0.50) KMT2ATRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL12674419 0.86 S1PR2 (0.47) KMT2ATRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL8989811 0.86 KMT2A (0.43) KMT2ATRPV3HTR2CTLR8TAAR1
SCHEMBL28903882 0.82 TRPV3 (0.35) KMT2ATRPV3SLC6A2SLC6A4SLC6A3
SCHEMBL11818115 0.81 KDM4E (0.53) KMT2ATRPV3LMNAKDM4E
Bromide SCHEMBL11824197 0.80 BRD4 (0.45) TRPV3LMNAHIF1AKDM4E
SCHEMBL17069296 0.77 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR2CCYP2D6
SCHEMBL3103040 0.77 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR2CCYP2D6
SCHEMBL17069299 0.77 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3HTR2CCYP2D6
SCHEMBL7469957 0.77 S1PR3 (0.47) KMT2ATRPV3TLR8LMNAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 EP disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 US disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 EP disclosed