SCHEMBL9879386

SCHEMBL9879386

C=C[CH]c1cccc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.54
CYP1A1 P04798 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP1B1 Q16678 3/20 0.50
PRMT1 Q99873 1/20 0.50
CYP19A1 P11511 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
CYP2D6 P10635 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
SCHEMBL57085 0.84 NFE2L2 (0.58) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL8693298 0.82 NFE2L2 (0.52) NFE2L2CYP1A1CYP1A2CYP1B1CYP19A1
SCHEMBL27702145 0.81 NFE2L2 (0.60) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL118591 0.79 NFE2L2 (0.79) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL1590638 0.79 NFE2L2 (0.61) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL1546324 0.78 NFE2L2 (0.59) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL1045609 0.77 NFE2L2 (0.64) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL1045608 0.77 NFE2L2 (0.64) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
SCHEMBL4642599 0.76 NFE2L2 (0.58) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1
O-Veratraldehyde SCHEMBL29923149 0.76 SRC (0.67) NFE2L2CYP1A1CYP1A2CYP1B1PRMT1

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
US-5034418-A Anticoagulants EISAI CO., LTD. (JP) 1991-07-23 US claimed
US-4391821-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS, ANTIARRHYTHMIA AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1983-07-05 US claimed
US-4391821-A HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS, ANTIARRHYTHMIA AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1983-07-05 US disclosed