SCHEMBL26937838

SCHEMBL26937838

Cc1ccc(CCC(N)=O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.47
FFAR1 O14842 3/20 0.43
AIMP2 Q13155 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CAPN1 P07384 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PYGL P06737 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.41
CCR2 P41597 1/20 0.41
GAA P10253 1/20 0.40
AGTR1 P30556 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL6845426 0.92 ALDH1A1 (0.41) SLC22A12FFAR1AIMP2ALDH1A1MAPT
SCHEMBL27562952 0.86 IAPP (0.49) FFAR1AIMP2ALDH1A1MAPTNPSR1
SCHEMBL14461367 0.84 FFAR1 (0.55) SLC22A12FFAR1NPSR1FFAR4
SCHEMBL3393678 0.84 PYGL (0.57) FFAR1ALOX15CAPN1PYGLCDK8
SCHEMBL8534702 0.84 CAPN1 (0.46) SLC22A12FFAR1ALDH1A1ALOX15CAPN1
SCHEMBL4685210 0.82 CA2 (0.47) ALDH1A1MAPTMEN1ALOX15MAPK1
SCHEMBL28022655 0.81 CA2 (0.56) ALOX15CAPN1PYGLCYP3A4
SCHEMBL14461366 0.80 RAB9A (0.48) AIMP2ALDH1A1MAPTKDM4EPYGL
SCHEMBL15517814 0.79 PIK3CA (0.47) SLC22A12ALDH1A1MAPTALOX15CAPN1
SCHEMBL26937826 0.79 DAO (0.47) SLC22A12FFAR1ALDH1A1KMT2ACAPN1

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-4074701-B1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEMICAL LTD (KR) 2023-12-13 EP disclosed