SCHEMBL8673269

SCHEMBL8673269

COc1ccc2[nH]c(C)c(CC=NOCCCO)c2c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MAPT P10636 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
CNR1 P21554 1/20 0.31
KDR P35968 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS2 P35354 1/20 0.30
SLC2A1 P11166 1/20 0.30
HDAC1 Q13547 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL8671204 0.95 POLB (0.34) POLBMAPTABCG2CNR1HPGD
SCHEMBL8676287 0.86 POLB (0.32) POLBMAPTABCG2CNR1HPGD
SCHEMBL8671570 0.82 POLB (0.40) POLBMAPTABCG2CNR1HPGD
SCHEMBL7761162 0.81 PTGS2 (0.39) POLBMAPTCNR1HPGDPTGS2
SCHEMBL8673724 0.81 MAPT (0.32) POLBMAPTALDH1A1
SCHEMBL5806535 0.81 POLB (0.41) POLBMAPTCNR1HPGDALDH1A1
SCHEMBL8642692 0.80 ABCG2 (0.35) POLBMAPTABCG2CNR1HPGD
SCHEMBL5809569 0.79 PTGS2 (0.48) POLBMAPTPTGS2HDAC1PTGDR
SCHEMBL8892260 0.79 ABCG2 (0.33) POLBMAPTABCG2CNR1HPGD
SCHEMBL5805773 0.79 PTGS2 (0.47) POLBMAPTPTGS2HDAC1

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-5750558-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed