SCHEMBL29024342

SCHEMBL29024342

CCCc1ccccc1C(=O)OOCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 6/20 0.46
KMT2A Q03164 2/20 0.43
SCN1A P35498 3/20 0.42
SCN2A Q99250 3/20 0.42
SCN3A Q9NY46 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
FOLH1 Q04609 1/20 0.39
MEN1 O00255 1/20 0.38
KDR P35968 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL29024367 0.90 TSHR (0.46) ALDH1A1LMNATSHRKMT2ASCN1A
SCHEMBL6462771 0.90 ALDH1A1 (0.53) ALDH1A1LMNATSHRKMT2ASCN1A
SCHEMBL2473946 0.88 TSHR (0.50) ALDH1A1LMNATSHRSCN1ASCN2A
SCHEMBL29024357 0.88 TSHR (0.49) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL29024331 0.88 TSHR (0.49) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL8733285 0.83 TSHR (0.69) ALDH1A1LMNATSHRKMT2ASCN1A
SCHEMBL28406804 0.82 ALDH1A1 (0.53) ALDH1A1LMNATSHRKMT2ASCN1A
SCHEMBL1629682 0.81 ALDH1A1 (0.70) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL1494672 0.81 ALDH1A1 (0.51) ALDH1A1LMNATSHRKMT2ASCN1A
SCHEMBL29875722 0.81 ALDH1A1 (0.70) ALDH1A1LMNATSHRKMT2AHSD17B10

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-116135892-A Method for preparing bimodal polyethylene resin for pipe material and bimodal polyethylene resin thereof 中国石油化工股份有限公司 2023-05-19 CN disclosed