SCHEMBL26136641

SCHEMBL26136641

O=C(O)C(C(=O)O)c1ccccc1C(C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.62
CYP2D6 P10635 1/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALOX15 P16050 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 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
SCHEMBL28442450 0.88 SRC (0.50) SRCCYP2D6LMNACYP1A2TSHR
SCHEMBL28875714 0.86 SRC (0.48) SRCCYP2D6LMNACYP1A2TSHR
SCHEMBL2208132 0.85 SRC (0.52) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL1244293 0.83 SRC (0.50) SRCCYP2D6LMNACYP1A2TSHR
SCHEMBL2206363 0.83 SRC (0.50) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL1274051 0.83 CES2 (0.50) SRCCYP2D6LMNAALDH1A1ALOX15
SCHEMBL30136352 0.83 SRC (0.50) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL2208871 0.83 SRC (0.50) SRCCYP2D6LMNAMAPK1TSHR
SCHEMBL4120437 0.81 KMT2A (0.50) SRCALDH1A1
SCHEMBL29385679 0.81 KMT2A (0.50) SRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023068378-A1 PIGMENT-IN-WATER DISPERSING AGENT, METHOD FOR DISPERSING PIGMENT IN WATER, AND AQUEOUS COATING MATERIAL 株式会社ADEKA 2023-04-27 WO disclosed
CN-105073735-B Halogen-substituted pyrazole derivatives as pest control agents 拜耳作物科学股份公司 2018-08-14 CN disclosed
CN-105073735-A Halogen-substituted pyrazole derivatives as pest control agents BAYER CROPSCIENCE AG 2015-11-18 CN disclosed