SCHEMBL12812401

SCHEMBL12812401

CCOC(=O)c1cccc(Cc2cccc(Cl)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
MAPK1 P28482 1/20 0.60
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TRPV1 Q8NER1 1/20 0.53
ALOX5 P09917 4/20 0.53
MEP1B Q16820 1/20 0.52
PTGES O14684 1/20 0.51
MAOB P27338 1/20 0.50
HPGD P15428 1/20 0.50
CA2 P00918 1/20 0.49
ELANE P08246 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL197307 0.88 TRPV1 (0.61) CYP4F2CYP4A11KMT2ASMN1; SMN2LMNA
SCHEMBL29443099 0.88 TRPV1 (0.61) CYP4F2CYP4A11KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27624411 0.86 TRPV1 (0.59) CYP4F2CYP4A11KMT2ASMN1; SMN2LMNA
Boric Acid SCHEMBL27780462 0.83 TRPV1 (0.57) CYP4F2CYP4A11KMT2ALMNAALDH1A1
SCHEMBL129801 0.82 CYP4F2 (0.71) MAPTCYP4F2CYP4A11KMT2ASMN1; SMN2
SCHEMBL7471861 0.82 TRPV1 (0.56) CYP4F2CYP4A11LMNAALDH1A1TRPV1
SCHEMBL1198044 0.81 CYP4F2 (0.66) MAPTCYP4F2CYP4A11KMT2ASMN1; SMN2
SCHEMBL7473301 0.81 CYP4F2 (0.61) MAPTCYP4F2CYP4A11KMT2ASMN1; SMN2
SCHEMBL27845077 0.80 CYP4F2 (0.57) MAPTMAPK1CYP4F2CYP4A11KMT2A
SCHEMBL128387 0.80 CYP4F2 (0.72) MAPTCYP4F2CYP4A11KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023791-A2 METHOD FOR PRODUCING ORGANOALUMINIUM COMPOUNDS AND USE THEREOF LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2011-03-03 WO disclosed