SCHEMBL9388673

SCHEMBL9388673

CCOC(=O)CC(=O)C=Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.47
BACE1 P56817 2/20 0.46
FBP1 P09467 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL9384295 0.89 CYP1A2 (0.52) MAPTCYP1A2CYP2D6POLBBACE1
SCHEMBL6809200 0.85 CYP1A2 (0.53) MAPTALDH1A1MAPK1CYP1A2CYP2D6
SCHEMBL6639628 0.85 CYP1A2 (0.53) MAPTALDH1A1MAPK1CYP1A2CYP2D6
SCHEMBL10665624 0.85 ALDH1A1 (0.48) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL10663985 0.83 CYP1A2 (0.45) MAPTALDH1A1CYP1A2CYP2D6POLB
SCHEMBL10348526 0.82 MAOB (0.56) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL9296378 0.82 MAOB (0.56) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL6985307 0.81 SMN1; SMN2 (0.62) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL10666472 0.81 SMN1; SMN2 (0.62) MAPTALDH1A1LMNAGAACYP1A2
SCHEMBL1647125 0.81 BACE1 (0.67) MAPTCYP1A2CYP2D6BACE1NPSR1

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-0240659-B2 N-substituted 3,4,5,6-tetrahydrophthalimides and their precursors BASF AG (DE) 1994-10-26 EP claimed
US-3933834-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed
US-3932645-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 US disclosed