SCHEMBL500610

SCHEMBL500610

O=C(O)C(CN1CCCCC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
RAD52 P43351 1/20 0.40
CPN1 P15169 4/20 0.39
CPB2 Q96IY4 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DPP4 P27487 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ANPEP P15144 1/20 0.38

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
SCHEMBL2451896 0.75 CPN1 (0.46) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL2451894 0.75 CPN1 (0.46) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL9813698 0.74 CYP2C9 (0.47) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL10723639 0.73 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1CYP1A2
SCHEMBL258779 0.72 ALDH1A1 (0.55) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL8133196 0.72 ALDH1A1 (0.55) CYP2C9CYP2C19HIF1ACPN1CPB2
SCHEMBL506450 0.72 CYP2C9 (0.50) CYP2C9CYP2C19HIF1ACPN1CPB2
Cyclohexane SCHEMBL253223 0.72 CYP2C9 (0.50) CYP2C9CYP2C19HIF1ACPN1CPB2
Cyclohexane SCHEMBL7426845 0.72 CYP2C9 (0.50) CYP2C9CYP2C19HIF1ACPN1CPB2
Cyclohexane SCHEMBL6631080 0.72 CYP2C9 (0.50) CYP2C9CYP2C19HIF1ACPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105760-B2 Patterning process and pattern surface coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090053657-A1 PATTERNING PROCESS AND PATTERN SURFACE COATING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed