SCHEMBL4054209

SCHEMBL4054209

CC1CCC(C(C)C)C(OCC(OC(=O)O)C2CCCC(C)(C(C)C)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 2/20 0.39
EPHX1 P07099 2/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.37
NTSR1 P30989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX4 Q99571 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
SERPINE1 P05121 2/20 0.34
CYP19A1 P11511 2/20 0.34

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
SCHEMBL15416806 0.80
SCHEMBL1783559 0.78 LMNA (0.48) ALDH1A1MEN1KMT2AKDM4EAPOBEC3A
SCHEMBL1132991 0.74 LMNA (0.51) ALDH1A1MEN1KMT2AKDM4EAPOBEC3A
SCHEMBL11692280 0.71 EPHX1 (0.49) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1663415 0.71 LMNA (0.48) ALDH1A1MEN1KMT2AKDM4EAPOBEC3A
SCHEMBL16297203 0.69 MEN1 (0.41) ALDH1A1MEN1KMT2AKDM4EAPOBEC3A
SCHEMBL7194613 0.69 EPHX1 (0.44) ALDH1A1MEN1KMT2AKDM4EAPOBEC3A
SCHEMBL910647 0.67 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL31541390 0.67 LMNA (0.51) ALDH1A1MEN1KMT2AKDM4EAPOBEC3A
SCHEMBL3923672 0.66 P2RX4 (0.55) ALDH1A1MEN1KMT2AKDM4EAPOBEC3A

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-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed