SCHEMBL2879577

SCHEMBL2879577

CC1CCC(C(=O)N(c2cc(-c3cccc(F)c3)sc2OC(=O)O)C(C)C)C(O)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.32
S1PR1 P21453 1/20 0.31
WRN Q14191 1/20 0.31
JAK2 O60674 1/20 0.30
USP2 O75604 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
HSD17B2 P37059 1/20 0.30
MLNR O43193 1/20 0.30

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
SCHEMBL3811154 0.93 TRPV1 (0.37) TRPV1TRPM8
SCHEMBL3809541 0.93 TRPV1 (0.37) TRPV1TRPM8
SCHEMBL3811193 0.93 TRPV1 (0.37) TRPV1TRPM8
SCHEMBL2874197 0.92 IKBKB (0.35) GPR88
SCHEMBL2879446 0.88 GRM5 (0.36) GPR88POLBS1PR1WRNJAK2
SCHEMBL2877351 0.88 POLB (0.38) GPR88POLBJAK2TRPM8
SCHEMBL2878984 0.86 TRPM8 (0.38) GPR88TRPV1TRPM8
SCHEMBL3811209 0.84 TRPV1 (0.37) GPR88TRPV1TRPM8
SCHEMBL2875205 0.82 NTMT1 (0.33) POLB
SCHEMBL3809145 0.81 TRPV1 (0.38) TRPV1TRPM8

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
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed