SCHEMBL18204035

SCHEMBL18204035

CC(C)(C)OC(=O)N(Cc1ccc(N)cc1)[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ AKT1 P31749 2/20 0.38
▸ SOAT1 P35610 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ BACE1 P56817 3/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18204036 1.00 ALDH1A1 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL27691293 0.87 TRPM8 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL27691292 0.87 TRPM8 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL1493571 0.84 CACNA1B (0.38) LMNAHSD17B10MEN1KMT2AOPRK1
SCHEMBL1493572 0.84 CACNA1B (0.38) LMNAHSD17B10MEN1KMT2AOPRK1
SCHEMBL4564174 0.83 MDM2 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL4564346 0.83 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL4564347 0.83 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3143341 0.81 MEN1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL628088 0.80 NR1H2 (0.44) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 — — EP disclosed
EP-2013175-B1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2016-11-09 — — EP disclosed
CN-102942520-B P38 map kinase inhibitors CHROMA THERAPEUTICS LTD 2015-03-04 — — CN disclosed
CN-101437799-A P38MAP kinase inhibitors CHROMA THERAPEUTICS LTD (GB) 2009-05-20 — — CN disclosed
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