SCHEMBL11209199

SCHEMBL11209199

Cc1cc(Cl)cc(O)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.64
ACHE P22303 2/20 0.64
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.46
LDHA P00338 2/20 0.44
LDHB P07195 2/20 0.44
TPMT P51580 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL597751 0.87 ALDH1A1 (0.57) CYP3A4ACHEMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2128985 0.84 CA1 (0.50) CYP3A4ACHEALDH1A1HPGDHSD17B10
SCHEMBL31187919 0.83 CYP3A4 (0.50) CYP3A4ACHEMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3765067 0.81 SMN1; SMN2 (0.52) CYP3A4ACHEMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3469028 0.78 CYP3A4 (0.69) CYP3A4ACHEMAPK1ALDH1A1SMN1; SMN2
Orsellinic Acid SCHEMBL522294 0.78 CYP3A4 (1.00) CYP3A4ACHEMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5355330 0.78 SPR (0.55) CYP3A4ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1868008 0.78 ALDH1A1 (0.48) CYP3A4ACHEMAPK1ALDH1A1SMN1; SMN2
SCHEMBL30736450 0.78 SMN1; SMN2 (0.48) CYP3A4ACHEMAPK1ALDH1A1SMN1; SMN2
SCHEMBL11519757 0.77 CYP3A4 (0.67) CYP3A4ACHEMAPK1ALDH1A1SMN1; SMN2

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
EP-0006125-B1 PHOTOPOLYMERISABLE MIXTURE AND LIGHT-SENSITIVE COATING MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-11 EP disclosed
US-4245030-A Photopolymerizable mixture containing improved plasticizer HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-13 US disclosed
EP-0006125-A1 Photopolymerisable mixture and light-sensitive coating material HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-09 EP disclosed