SCHEMBL29024367

SCHEMBL29024367

CCCCc1ccccc1C(=O)OOCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 7/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 3/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.42
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
HSD17B10 Q99714 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CA2 P00918 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 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
SCHEMBL29024357 0.94 TSHR (0.49) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL29024331 0.94 TSHR (0.49) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL29024342 0.90 ALDH1A1 (0.47) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL6463491 0.90 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL29287656 0.89 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL6463463 0.85 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL2473946 0.85 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL28074918 0.85 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL6466153 0.84 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL6468288 0.84 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1LMNA

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