SCHEMBL16376524

SCHEMBL16376524

CCOC(=O)[C@H](CC(C)(C)F)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.51
▸ CYP26A1 O43174 1/20 0.49
▸ PRSS1 P07477 3/20 0.49
▸ CTSG P08311 3/20 0.49
▸ CTRB1 P17538 3/20 0.49
▸ CMA1 P23946 3/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45

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
SCHEMBL29188972 0.84 CYP26A1 (0.54) CTSLCYP26A1PRSS1CTSGCTRB1
SCHEMBL2155848 0.83 CTSL (0.47) CTSLCYP26A1PRSS1CTSGCTRB1
SCHEMBL2155844 0.83 CTSL (0.47) CTSLCYP26A1PRSS1CTSGCTRB1
SCHEMBL27673425 0.82 CYP26A1 (0.53) CTSLCYP26A1PRSS1CTSGCTRB1
SCHEMBL26199837 0.82 CYP26A1 (0.53) CTSLCYP26A1PRSS1CTSGCTRB1
SCHEMBL4896298 0.81 NPC1 (0.53) CTSLCYP26A1SMN1; SMN2GAARAB9A
SCHEMBL7443637 0.81 CYP26A1 (0.52) CTSLCYP26A1PRSS1CTSGCTRB1
SCHEMBL7443638 0.81 CYP26A1 (0.52) CTSLCYP26A1PRSS1CTSGCTRB1
SCHEMBL7610226 0.81 RAB9A (0.48) CTSLCYP26A1PRSS1CTSGCTRB1
SCHEMBL3692412 0.81 RAB9A (0.48) CTSLCYP26A1PRSS1CTSGCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 — — WO disclosed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 — — WO disclosed
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