SCHEMBL20080089

SCHEMBL20080089

CCCCc1ccc(NC(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL19966996 0.90 MAPT (0.44) PPARGPPARAMAPTMEN1KMT2A
SCHEMBL12044500 0.87 HTT (0.47) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19961013 0.87 KCNQ4 (0.42) PPARGPPARAMAPTMEN1KMT2A
SCHEMBL23093133 0.85 CNR2 (0.43) CYP1A2LMNATSHRALDH1A1TUBB4A
SCHEMBL23093142 0.85 SMN1; SMN2 (0.47) PPARAMEN1KMT2ACYP1A2LMNA
SCHEMBL19930251 0.85 PPARA (0.44) PPARAMAPK1HTTCYP1A2LMNA
SCHEMBL15752675 0.84 PYGL (0.48) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL19930248 0.84 MAPT (0.43) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7968884 0.83 HTT (0.41) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6587449 0.82 GAA (0.54) MEN1KMT2ATDP1HTTTSHR

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-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 — — EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 — — EP disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 — — EP disclosed
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