SCHEMBL8946685

SCHEMBL8946685

COc1cc(C)c2c(c1)[C@@H]1c3ccccc3[N+](C)(C)[C@@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
MAOA P21397 1/20 0.33
HTR2A P28223 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8946478 0.70 MAPT (0.35) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL8946486 0.70 MAPT (0.35) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL8946494 0.70 MAPT (0.35) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL3034512 0.60 CYP3A4 (0.39) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL8946380 0.58 MAOA (0.34) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL8946284 0.57 HTR2A (0.39) MAPTMEN1ALDH1A1KMT2AHPGD
SCHEMBL15319460 0.57 MAOA (0.35) ALDH1A1HPGDMAOA
SCHEMBL15319269 0.55 CYP2C19 (0.33) ALDH1A1KMT2AHPGDHTR2A
SCHEMBL2955343 0.54 ALDH1A1 (0.56) ALDH1A1HPGD
SCHEMBL9748717 0.54 ACHE (0.50) MEN1ALDH1A1KMT2AGAA

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
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed