SCHEMBL14664178

SCHEMBL14664178

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
TLR2 O60603 3/20 0.50
TLR1 Q15399 3/20 0.50
TRPM8 Q7Z2W7 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2628667 0.89 TRPM8 (0.50) TAAR1TRPM8POLBALDH1A1EPHX1
SCHEMBL3392306 0.89 TRPM8 (0.49) TAAR1TRPM8POLBALDH1A1KDM4E
SCHEMBL2628617 0.89 TRPM8 (0.49) TAAR1TRPM8POLBALDH1A1KDM4E
SCHEMBL24540522 0.89 TRPM8 (0.50) TAAR1TRPM8POLBALDH1A1EPHX1
SCHEMBL2628712 0.89 TRPM8 (0.50) TAAR1TRPM8POLBALDH1A1EPHX1
SCHEMBL24540473 0.89 TRPM8 (0.49) TAAR1TRPM8POLBALDH1A1EPHX1
SCHEMBL2628702 0.88 ALDH1A1 (0.55) TRPM8ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2628656 0.88 TRPM8 (0.48) TAAR1TRPM8POLBALDH1A1EPHX1
SCHEMBL2628669 0.88 TRPM8 (0.48) TAAR1TRPM8POLBALDH1A1EPHX1
SCHEMBL24540254 0.88 TAAR1 (0.54) TAAR1TRPM8POLBEPHX1MEN1

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
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed