SCHEMBL31444451

SCHEMBL31444451

NC(COCCC(=O)O)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
IDO2 Q6ZQW0 2/20 0.38
CASP1 P29466 1/20 0.37
ACP3 P15309 1/20 0.36
SLC15A1 P46059 1/20 0.36
KMT2A Q03164 2/20 0.36
AOC3 Q16853 1/20 0.36
CTSA P10619 1/20 0.35
FDFT1 P37268 1/20 0.35
AKR1B1 P15121 1/20 0.35
LTA4H P09960 1/20 0.35
CXCL8 P10145 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL31444332 0.84 FDFT1 (0.40) LMNACASP1AOC3FDFT1
SCHEMBL811540 0.81 CYP2D6 (0.42) LMNAIDO1TDO2IDO2ACP3
Hydrochloric Acid SCHEMBL29747740 0.81 LMNA (0.42) LMNAACP3SLC15A1TSHR
Hydrochloric Acid SCHEMBL29747665 0.81 LMNA (0.42) LMNAACP3SLC15A1TSHR
Hydrochloric Acid SCHEMBL22831448 0.80 CYP2D6 (0.41) LMNAIDO1TDO2IDO2ACP3
Hydrochloric Acid SCHEMBL2778473 0.80 CYP2D6 (0.41) LMNAIDO1TDO2IDO2ACP3
Hydrochloric Acid SCHEMBL11187013 0.78 IDO1 (0.47) LMNAIDO1TDO2IDO2AOC3
SCHEMBL25253132 0.77 CTSA (0.47) CASP1ACP3KMT2ACTSAMEN1
SCHEMBL29478365 0.77 CTSA (0.47) CASP1ACP3KMT2ACTSAMEN1
SCHEMBL1309481 0.77 CTSA (0.47) CASP1ACP3KMT2ACTSAMEN1

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed