SCHEMBL9737304

SCHEMBL9737304

Cc1cc(C)c(C(=O)O)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.45
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
TPMT P51580 1/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
DAO P14920 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
SCHEMBL321080 0.89 TPMT (0.48) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL21870 0.84 KDM4E (0.55) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL377596 0.84 KDM4E (0.55) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL1104465 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2KDM4ECYP3A4
SCHEMBL18033973 0.83 HTT (0.44) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL3765067 0.83 SMN1; SMN2 (0.52) ALDH1A1MAPK1SMN1; SMN2KDM4ECYP3A4
SCHEMBL6912704 0.81 KDM4E (0.53) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL6917032 0.81 KDM4E (0.53) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL5167636 0.81 KDM4E (0.53) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL6916700 0.81 KDM4E (0.53) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037602-C N-acetophenone formamide and application as bactericide agent of same ROHM & HAAS (US) 1998-03-04 CN disclosed
CN-1117961-A N-acetophenone formamide and application as bactericide agent of same ROHM & HAAS (US) 1996-03-06 CN disclosed
US-5130442-A Compounds for forming color in recording material based on acid developers BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0431425-A2 Chromogen enamine compounds, their preparation and use as colour formers BAYER AG (DE) 1991-06-12 EP disclosed