SCHEMBL16449258

SCHEMBL16449258

CC(C)(C)CC(C)(C)CNC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
PRSS1 P07477 1/20 0.59
CTSG P08311 1/20 0.59
CTRB1 P17538 1/20 0.59
CMA1 P23946 1/20 0.59
GAA P10253 1/20 0.53
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
ESRRG P62508 1/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NAAA Q02083 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL25752880 0.89 PRSS1 (0.67) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL10224288 0.85 PRSS1 (0.67) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL5020903 0.84 PRSS1 (0.61) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL28788762 0.83 PRSS1 (0.59) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL21590340 0.80 PRSS1 (0.65) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL30914530 0.79 PRSS1 (0.63) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL5676158 0.79 PRSS1 (0.63) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL7676183 0.79 PRSS1 (0.63) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL28440839 0.79 PRSS1 (0.73) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL16156086 0.79 PRSS1 (0.63) POLBPRSS1CTSGCTRB1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952150-B2 Prostaglandin transporter inhibitors and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-02-10 US disclosed