SCHEMBL29039191

SCHEMBL29039191

COC(=O)C[C@@H](C)OC(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL29039245 0.83 TSHR (0.38) CYP1A2CYP2C9CYP2D6ALDH1A1POLB
SCHEMBL18050787 0.83 TSHR (0.41) CYP2D6ALDH1A1POLBSMN1; SMN2
SCHEMBL18050782 0.82 ALDH1A1 (0.42) CYP1A2CYP2D6ALDH1A1POLBSMN1; SMN2
SCHEMBL16965622 0.80 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2D6MEN1KMT2A
SCHEMBL28829189 0.78 ALDH1A1 (0.37) CYP1A2CYP2C9CYP2D6MEN1KMT2A
SCHEMBL16965427 0.75 MEN1 (0.43) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6344332 0.74 MMP1 (0.42) MEN1KMT2AALDH1A1MMP1MMP2
SCHEMBL12524298 0.74 MMP1 (0.42) MEN1KMT2AALDH1A1MMP1MMP2
SCHEMBL17979051 0.73 L3MBTL1 (0.33) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL16965092 0.73 ALDH1A1 (0.42) CYP1A2CYP2C9MEN1KMT2AALDH1A1

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
CN-116234802-A Quinoline CGAS antagonist compounds 免疫传感器治疗股份有限公司 2023-06-06 CN disclosed