SCHEMBL10404153

SCHEMBL10404153

Cc1c(OC(=O)C(C)(C)C)c(=O)ccn1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
KDM6A O15550 1/20 0.47
KDM4A O75164 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM5C P41229 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
DOHH Q9BU89 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
ELANE P08246 14/20 0.43
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL16744334 0.78 CYP2C9 (0.50) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL30982453 0.77 HTT (0.38) KDM4ECYP2C9CYP2C19ELANEGAA
SCHEMBL30982637 0.77 HTT (0.38) KDM4ECYP2C9CYP2C19ELANEGAA
SCHEMBL30982936 0.77 HTT (0.38) KDM4ECYP2C9CYP2C19ELANEGAA
SCHEMBL10403105 0.76 KDM4E (0.46) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL15790433 0.73 CYP2C9 (0.53) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL10403849 0.72 PPID (0.42) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL8662055 0.71 POLB (0.43) CYP2C19ELANEPOLBGAANPSR1
SCHEMBL10404483 0.71 KMT2A (0.45) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL30982472 0.70 HTT (0.37) KDM4ECYP2C9CYP2C19ELANEGAA

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-0316279-A2 Ester derivatives of azacyclic hydroxycompounds CIBA-GEIGY AG (CH) 1989-05-17 EP claimed
US-4908371-A Pharmaceuticals CIBA-GEIGY CORPORATION (US) 1990-03-13 US disclosed
EP-0316279-A2 Ester derivatives of azacyclic hydroxycompounds CIBA-GEIGY AG (CH) 1989-05-17 EP disclosed