SCHEMBL29344673

SCHEMBL29344673

CC(C)(C)OC(=O)Nc1cc(F)cc2c1OCCO2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNQ4 P56696 3/20 0.36
KCNQ5 Q9NR82 3/20 0.36
PLK1 P53350 1/20 0.36
CYP17A1 P05093 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RORC P51449 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
MAOB P27338 1/20 0.33
BRAF P15056 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
SCHEMBL24750237 0.81 BRAF (0.42) MEN1HPGDKMT2ANPSR1KCNQ4
SCHEMBL7949833 0.78 MRGPRX1 (0.46) RXFP1KDM4EALDH1A1BRD9
SCHEMBL30317135 0.78 MRGPRX1 (0.46) RXFP1KDM4EALDH1A1BRD9
SCHEMBL24749691 0.78 RXFP1 (0.41) MEN1KMT2ARXFP1KDM4ENPC1
SCHEMBL30768285 0.78 RXFP1 (0.41) MEN1KMT2ARXFP1KDM4ENPC1
SCHEMBL24749751 0.77 LNPEP (0.34) MEN1HPGDKMT2ANPSR1BRAF
SCHEMBL25166337 0.75 HPGD (0.50) MEN1HPGDKMT2ANPSR1PLK1
SCHEMBL31107875 0.75 HPGD (0.50) MEN1HPGDKMT2ANPSR1PLK1
SCHEMBL5623145 0.74 CTSL (0.43) MEN1HPGDKMT2AKDM4EALDH1A1
SCHEMBL31480814 0.74 HPGD (0.39) MEN1HPGDKMT2ANPSR1KDM4E

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
WO-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed