SCHEMBL3842966

SCHEMBL3842966

CC(C)(C)[Si](C)(C)OCCN1CCC=C(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
CYP2C9 P11712 2/20 0.51
BLM P54132 2/20 0.51
PMP22 Q01453 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC6A1 P30531 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL3837798 0.96 KMT2A (0.50) KMT2AKDM4EALDH1A1LMNACYP2C9
SCHEMBL4515554 0.88 LMNA (0.51) KMT2AKDM4EALDH1A1LMNACYP2C9
SCHEMBL4516519 0.84 LMNA (0.48) KMT2AKDM4EALDH1A1LMNACYP2C9
SCHEMBL3838240 0.74 DGAT1 (0.33) KMT2AKDM4EALDH1A1LMNACYP2C9
SCHEMBL3842579 0.74 KMT2A (0.36) KMT2AKDM4EALDH1A1LMNACYP2C9
SCHEMBL3842824 0.73 SLC6A1 (0.57) KMT2AKDM4EALDH1A1LMNACYP2C9
SCHEMBL3862550 0.72 SLC6A1 (0.53) KMT2AKDM4EALDH1A1LMNACYP2C9
SCHEMBL3842597 0.72 DUT (0.34)
SCHEMBL3841814 0.71 SLC6A1 (0.56) KMT2AKDM4EALDH1A1LMNACYP2C9
SCHEMBL9562561 0.71 SLC6A1 (0.51) KMT2AKDM4EALDH1A1LMNACYP2C9

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
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed