SCHEMBL22005207

SCHEMBL22005207

O=C(OCC1CCCC1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
CHRNB2 P17787 2/20 0.57
CHRNA4 P43681 2/20 0.57
CHRNA5 P30532 1/20 0.57
CHRNA7 P36544 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ATM Q13315 1/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL9005573 0.98 CARM1 (0.57) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL7452740 0.98 CARM1 (0.57) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL25445958 0.96 CARM1 (0.58) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL8447322 0.93 CARM1 (0.61) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL532785 0.93 CARM1 (0.61) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL7604221 0.90 CHRNB2 (0.55) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL3468807 0.89 PARP15 (0.54) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL17737147 0.89 CHRNB2 (0.59) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL17022293 0.86 CARM1 (0.56) CARM1PRMT6CHRNB2CHRNA4CHRNA5
SCHEMBL2296496 0.86 DRD2 (0.49) CARM1PRMT6CHRNB2CHRNA4CHRNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200156925-A1 HYDROGEN GAS SUPPLY SYSTEM, POINT MANAGEMENT SYSTEM, AND SERVICE MANAGEMENT SYSTEM TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2020-05-21 US disclosed