SCHEMBL4397640

SCHEMBL4397640

CCCCOC(=O)C1(c2ccc(OC)cc2)NC(c2ccccc2)C(C(=O)O)O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
PPARG P37231 3/20 0.36
RAB9A P51151 1/20 0.36
FFAR1 O14842 1/20 0.36
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
ALDH1A1 P00352 4/20 0.35
EDNRA P25101 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4732903 0.86 CA1 (0.42) SIGMAR1RAB9AFABP7FABP5ALDH1A1
SCHEMBL7690874 0.82 RAB9A (0.38) SIGMAR1RAB9AALDH1A1EDNRAKMT2A
SCHEMBL7063571 0.82 SIGMAR1 (0.40) SIGMAR1PPARGALDH1A1SMN1; SMN2LMNA
SCHEMBL14967701 0.72 SIGMAR1 (0.42) SIGMAR1FFAR1ALDH1A1EDNRASMN1; SMN2
SCHEMBL16109499 0.70 SIGMAR1 (0.41) SIGMAR1PPARGRAB9AALDH1A1SMN1; SMN2
SCHEMBL14967013 0.70 MIF (0.41) SIGMAR1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL16109557 0.70 PPARG (0.42) SIGMAR1PPARGALDH1A1LMNAHSD17B10
SCHEMBL16746581 0.69 TSHR (0.44) PPARGFABP7FABP5ALDH1A1EDNRA
SCHEMBL16109798 0.69 L3MBTL1 (0.40) SIGMAR1PPARGRAB9AALDH1A1LMNA
SCHEMBL14967096 0.69 MIF (0.39) SIGMAR1ALDH1A1LMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768820-A2 A PROCESS FOR MAKING AN INTERMEDIATE OF CABAZITAXEL Scinopharm Taiwan Ltd. (TW) 2014-08-27 EP disclosed
WO-2013054204-A2 A PROCESS FOR MAKING AN INTERMEDIATE OF CABAZITAXEL SCINOPHARM TAIWAN LTD. (TW) 2013-04-18 WO disclosed
EP-2108014-A1 METHOD OF PREPARING DOCETAXEL AND INTERMEDIATES USED THEREIN Hanmi Pharm. Co., Ltd. (KR) 2009-10-14 EP disclosed
WO-2008072849-A1 METHOD OF PREPARING DOCETAXEL AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2008-06-19 WO disclosed
EP-0876361-A1 4,10$g(b)-DIACETOXY-2$g(a)-BENZOYLOXY-5$g(b),20-EPOXY-1-HYDROXY-9-OXO-19-NOR-CYCLOPROPA G]TAX-11-ENE-13$g(a)-YL (2R,3S)-TERT-BUTOXYCARBONYLAMINO-2-HYDROXY-3-PHENYLPROPIONATE DIHYDRATE, AND METHOD FOR PREPARING SAME Aventis Pharma S.A. (FR) 1998-11-11 EP disclosed
WO-1997021695-A1 4,10β-DIACETOXY-2α-BENZOYLOXY-5β,20-EPOXY-1-HYDROXY-9-OXO-19-NOR-CYCLOPROPA[G]TAX-11-ENE-13α-YL (2R,3S)-TERT-BUTOXYCARBONYLAMINO-2-HYDROXY-3-PHENYLPROPIONATE DIHYDRATE, AND METHOD FOR PREPARING SAME RHONE-POULENC RORER S.A. (FR) 1997-06-19 WO disclosed