SCHEMBL28076401

SCHEMBL28076401

CCC(=O)CCCCCOC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
NAAA Q02083 1/20 0.45
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HSD17B10 Q99714 1/20 0.41
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.41
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL4230636 0.91 ALDH1A1 (0.60) ALDH1A1NAAATSHRLMNAAPOBEC3A
SCHEMBL31695286 0.86 ALDH1A1 (0.65) ALDH1A1NAAATSHRDGKAHTR2C
SCHEMBL7047113 0.82 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL8607908 0.82 ALDH1A1 (0.70) ALDH1A1NAAATSHRLMNAAPOBEC3A
SCHEMBL15299079 0.82 ALDH1A1 (0.70) ALDH1A1NAAATSHRLMNAAPOBEC3A
SCHEMBL273326 0.82 ALDH1A1 (0.70) ALDH1A1NAAATSHRLMNAAPOBEC3A
SCHEMBL5136503 0.82 ALDH1A1 (0.70) ALDH1A1NAAATSHRLMNAAPOBEC3A
SCHEMBL11492305 0.82 ALDH1A1 (0.70) ALDH1A1NAAATSHRLMNAAPOBEC3A
SCHEMBL4441760 0.82 ALDH1A1 (0.70) ALDH1A1NAAATSHRLMNAAPOBEC3A
SCHEMBL11491818 0.82 ALDH1A1 (0.70) ALDH1A1NAAATSHRLMNAAPOBEC3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
CN-103773324-B Improve organoclay method of plastic rate in oil base drilling fluid mud 中国石油化工股份有限公司 2016-08-24 CN disclosed