SCHEMBL11298000

SCHEMBL11298000

O=C(c1ccccc1)c1cc(Cl)ccc1NCCC(O)Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 3/20 0.51
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SERPINE1 P05121 1/20 0.48
TLR4 O00206 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
SCHEMBL9726954 0.83 MAPT (0.58) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL19297583 0.83 MAPT (0.58) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9853488 0.82 MAPT (0.63) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11680523 0.82 MAPT (0.56) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11266542 0.81 MAPT (0.55) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11272884 0.81 PPARG (0.67) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11636235 0.80 SMN1; SMN2 (0.64) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL13603806 0.80 MAPT (0.60) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11636322 0.79 PPARG (0.62) PPARGMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1637533 0.79 CYP1A2 (0.60) MAPTALDH1A1LMNASMN1; SMN2TP53

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
EP-0004024-B1 METHOD FOR PREPARING 3-HYDROXY-6-PHENYL-1,2,3,4-TETRAHYDRO-1,5-BENZODIAZOCINES Kali-Chemie Pharma GmbH (DE) 1982-02-24 EP disclosed