SCHEMBL23664366

SCHEMBL23664366

CNC(=O)C1=C(C(=O)O)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
LMNA P02545 1/20 0.39
FABP4 P15090 5/20 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
SCHEMBL17024326 0.80 DHODH (0.41) DHODHNPSR1ALDH1A1TSHRCASP1
SCHEMBL17024327 0.80 DHODH (0.41) DHODHNPSR1ALDH1A1TSHRCASP1
SCHEMBL217840 0.80 DHODH (0.41) DHODHNPSR1ALDH1A1TSHRCASP1
SCHEMBL12491707 0.80 DHODH (0.41) DHODHNPSR1ALDH1A1TSHRCASP1
SCHEMBL28247062 0.80 DHODH (0.41) DHODHNPSR1ALDH1A1TSHRCASP1
SCHEMBL5415654 0.80 DHODH (0.41) DHODHNPSR1ALDH1A1TSHRCASP1
SCHEMBL12491709 0.80 DHODH (0.41) DHODHNPSR1ALDH1A1TSHRCASP1
SCHEMBL1875182 0.79 DHODH (0.44) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL17356892 0.77 BRD4 (0.39) ALDH1A1POLBPKMKDM4EMEN1
Bromide SCHEMBL689744 0.77 DHODH (0.39) DHODHNPSR1ALDH1A1TSHRKMT2A

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-2021143677-A1 FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF 青岛清原化合物有限公司 2021-07-22 WO disclosed