SCHEMBL8496285

SCHEMBL8496285

CCc1ccnc(OC)c1NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 3/20 0.38
▸ F2 P00734 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SLC13A5 Q86YT5 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ TOP2A P11388 1/20 0.34

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
SCHEMBL13120792 0.81 L3MBTL1 (0.40) ARL3MBTL1MAPTF2HSD17B10
SCHEMBL13120797 0.81 L3MBTL1 (0.40) ARL3MBTL1MAPTF2HSD17B10
SCHEMBL13120795 0.81 HTT (0.43) L3MBTL1MAPTF2HSD17B10KDM4E
SCHEMBL29958183 0.79 L3MBTL1 (0.38) ARL3MBTL1MAPTF2HSD17B10
SCHEMBL7852926 0.75 GAA (0.38) L3MBTL1MAPTHSD17B10KDM4EALDH1A1
SCHEMBL27733088 0.74 KDM4E (0.49) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL7852449 0.73 HDAC6 (0.42) L3MBTL1MTNR1ALMNASLC13A5POLB
SCHEMBL12666586 0.73 CYP2C19 (0.50) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL16611199 0.72 ALDH1A1 (0.41) L3MBTL1MAPTALDH1A1HPGDMTNR1A
SCHEMBL8885211 0.72 ATR (0.48) HSD17B10SLC13A5

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
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 — — EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
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