SCHEMBL3740253

SCHEMBL3740253

CC(Oc1cccs1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL3874912 0.85 ALOX5 (0.44) KMT2AGAATDP1ALDH1A1HPGD
SCHEMBL4560908 0.78 SLC1A3 (0.44) KMT2ACYP2C9CYP2C19CYP1A2PKM
SCHEMBL4968147 0.78 ALOX5 (0.44) KMT2ACYP2C9CYP2C19PKMTDP1
SCHEMBL7080315 0.78 CYP2C19 (0.42) KMT2ACYP2C9CYP2C19PKMALDH1A1
SCHEMBL21881381 0.76 PPARA (0.47) CYP2C19ALDH1A1KDM4ELMNAPPARG
SCHEMBL6162434 0.76 PPARA (0.47) CYP2C19ALDH1A1KDM4ELMNAPPARG
SCHEMBL10681281 0.76
SCHEMBL827441 0.76
SCHEMBL8228297 0.72 MMP1 (0.45) KMT2ACYP2C9CYP2C19GAATDP1
SCHEMBL6044891 0.72 SLC1A3 (0.38) KMT2ACYP2C19GAAPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280113-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS TRUSTEES OF BOSTON UNIVERSITY (US) 2010-11-04 US claimed
CN-114727976-A Use of PPAR-delta agonists in the treatment of renal disease 雷内奥制药公司 2022-07-08 CN disclosed
CN-113747891-A Use of PPAR delta agonists in the treatment of Fatty Acid Oxidation Disorders (FAOD) 雷内奥制药公司 2021-12-03 CN disclosed
CN-113710683-A Use of PPAR-delta agonists in the treatment of mitochondrial myopathy 雷内奥制药公司 2021-11-26 CN disclosed
US-20050032646-A1 Agents for the regulation of gametophytic self-incompatibility and a control method for the breakdown of gametophytic self-incompatibility using the agents BICBIO CO. LTD. (KR) 2005-02-10 US disclosed
WO-2004036997-A1 AGENTS FOR THE REGULATION OF GAMETOPHYTIC SELF-INCOMPATIBILITY AND A CONTROL METHOD FOR THE BREAKDOWN OF GAMETOPHYTIC SELF-INCOMPATIBILITY USING THE AGENTS BICBIO CO., LTD (KR) 2004-05-06 WO disclosed
EP-0395251-A1 Herbicidal sulfonamides ICI AUSTRALIA LIMITED (AU) 1990-10-31 EP disclosed