SCHEMBL7405242

SCHEMBL7405242

O=C(O)NCCc1ccc(Cl)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ MAPT P10636 1/20 0.45
▸ PLAAT3 P53816 1/20 0.45
▸ PLAAT5 Q96KN8 1/20 0.45
▸ PLAAT2 Q9NWW9 1/20 0.45
▸ PLAAT4 Q9UL19 1/20 0.45
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL5654926 0.86 HPGD (0.48) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL3529974 0.83 HPGD (0.67) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL6924316 0.83 P2RX7 (0.48) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL17330349 0.82 HPGD (0.47) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL16795265 0.82 HPGD (0.52) HPGDCNR1MAPTPLAAT3PLAAT5
SCHEMBL17330402 0.81 HPGD (0.46) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL19376791 0.81 HPGD (0.49) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL6920257 0.79 IDO1 (0.55) HPGDMAPTALDH1A1KDM4EKMT2A
SCHEMBL20563681 0.78 HPGD (0.47) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL10537631 0.75 IDO1 (0.43) HPGDMAPTALDH1A1KMT2AMEN1

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
WO-2002057225-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-07-25 — — WO disclosed
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