SCHEMBL11612313

SCHEMBL11612313

Cc1cccc(OCCn2nc(C)c(-c3ccccc3)c2OC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL11612175 0.92 KMT2A (0.45) HPGDKMT2ARAB9AMAPTMEN1
SCHEMBL11617777 0.89 PTGER4 (0.41) TDP1KMT2AMAPTMEN1ALDH1A1
SCHEMBL11616869 0.81 POLB (0.48) HPGDKMT2ARAB9AMAPTMEN1
SCHEMBL11616738 0.73 MAPK1 (0.45) HPGDKMT2ARAB9AMAPTMEN1
SCHEMBL11614163 0.71 PTGDR2 (0.39) HPGDTDP1MAPTPOLBRXFP1
SCHEMBL8676348 0.70 L3MBTL1 (0.73) TDP1L3MBTL1KMT2ARAB9AMAPT
SCHEMBL11613391 0.70 KMT2A (0.44) HPGDKMT2ARAB9AMAPTMEN1
SCHEMBL11613653 0.69 MAPT (0.52) TDP1KMT2ARAB9AMAPTMEN1
SCHEMBL11615339 0.69 KMT2A (0.49) KMT2ARAB9AMAPTMEN1ALDH1A1
SCHEMBL11615729 0.68 TP53 (0.45) HPGDKMT2AMAPTMEN1ALDH1A1

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-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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