SCHEMBL11257645

SCHEMBL11257645

CCc1cccc(CCc2ccccc2OCCCCN2CCC(C(=O)O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 15/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ DRD2 P14416 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL11269080 0.90 MEN1 (0.56) ABCB1L3MBTL1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL11260354 0.89 MEN1 (0.55) ABCB1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL11256314 0.89 ABCB1 (0.54) ABCB1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL11256903 0.89 ABCB1 (0.60) ABCB1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL11255705 0.85 ABCB1 (0.49) ABCB1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL11258966 0.84 KDM4E (0.56) ABCB1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL11249588 0.84 KDM4E (0.52) ABCB1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL11249075 0.83 LTA4H (0.62) ABCB1KDM4EMEN1KMT2ADRD2
SCHEMBL11260526 0.83 KDM4E (0.50) ABCB1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL11260340 0.83 KCNH2 (0.54) L3MBTL1KDM4EMEN1KMT2AALDH1A1

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-4323568-A INHIBIT PLATELET AGGREGATION MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1982-04-06 — — US disclosed
EP-0001759-B1 (OMEGA-AMINOALKOXY) BIBENZYLS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE SUBSTANCES MITSUBISHI KASEI CORPORATION (JP) 1981-12-30 — — EP disclosed
US-4220603-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1980-09-02 — — US disclosed
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