SCHEMBL9358883

SCHEMBL9358883

CCC(O)(CC)c1cc(N)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 4/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ TDP1 Q9NUW8 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ THRB P10828 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ BLM P54132 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
SCHEMBL7761954 0.86 ALDH1A1 (0.55) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL460892 0.78 KDM4E (0.57) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL2520968 0.78 ALDH1A1 (0.45) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL25584211 0.75 ALDH1A1 (0.49) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL182142 0.74 ALDH1A1 (0.57) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL29451106 0.74 ALDH1A1 (0.57) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL696299 0.74 ALDH1A1 (0.57) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL27438612 0.73 ALDH1A1 (0.47) KDM4EALDH1A1MAPTCYP3A4GAA
Hydrochloric Acid SCHEMBL7912933 0.73 ALDH1A1 (0.55) KDM4EALDH1A1MAPTCYP3A4GAA
SCHEMBL578084 0.72 CNR2 (0.47) KDM4EALDH1A1MAPTCYP3A4GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494855-B1 HYDROGEL-FORMING WOUND DRESSING OR SKIN COATING MATERIAL MEDIPRO SCIENCES LTD (CA) 1994-12-21 — — EP disclosed
EP-0494855-A1 HYDROGEL-FORMING WOUND DRESSING OR SKIN COATING MATERIAL. MEDIPRO SCIENCES LTD (CA) 1992-07-22 — — EP disclosed
US-5013769-A Method of making a hydrogel-forming wound dressing or skin coating material MEDIPRO SCIENCES LIMITED (CA) 1991-05-07 — — US disclosed
WO-1991005574-A1 HYDROGEL-FORMING WOUND DRESSING OR SKIN COATING MATERIAL MEDIPRO SCIENCES LIMITED (CA) 1991-05-02 — — WO disclosed
US-4920158-A Crosslinked hydrophilic polymer blend of unsaturated acid and polyether MEDIPRO SCIENCES LIMITED (CA) 1990-04-24 — — US disclosed
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