SCHEMBL29024331

SCHEMBL29024331

CCCCCCCCc1ccccc1C(=O)OOCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
LIPG Q9Y5X9 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARA Q07869 3/20 0.45
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 2/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44

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 1.00 TSHR (0.49) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL29024367 0.94 TSHR (0.46) TSHRALDH1A1LMNATHRATHRB
SCHEMBL6468288 0.91 TSHR (0.54) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL6464030 0.91 TSHR (0.54) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL6465819 0.91 TSHR (0.54) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL6466153 0.91 TSHR (0.54) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL6463463 0.89 TSHR (0.53) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL28074918 0.88 TSHR (0.51) TSHRALDH1A1LMNALIPGTHRA
SCHEMBL29024342 0.88 ALDH1A1 (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL2416144 0.85 TSHR (0.61) TSHRALDH1A1LMNALIPGTHRA

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