SCHEMBL11249588

SCHEMBL11249588

CCCOc1cccc(CCc2ccccc2)c1OCCCCN1CCC(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ S1PR1 P21453 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ PTGES O14684 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ ABCB1 P08183 1/20 0.46

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
SCHEMBL11569134 0.90 ALDH1A1 (0.63) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11269080 0.87 MEN1 (0.56) KDM4EALDH1A1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL11260354 0.86 MEN1 (0.55) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11257645 0.84 ABCB1 (0.56) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11260159 0.83 L3MBTL1 (0.53) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11258966 0.81 KDM4E (0.56) KDM4EL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL11250779 0.81 KDM4E (0.56) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11246207 0.81 KDM4E (0.53) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11249075 0.81 LTA4H (0.62) KDM4EALDH1A1MEN1KMT2AS1PR1
SCHEMBL11260526 0.81 KDM4E (0.50) KDM4EALDH1A1L3MBTL1MEN1KMT2A

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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