SCHEMBL25397703

SCHEMBL25397703

CCCC(C)Oc1ccc(SCc2nnc(-c3ccc(F)cc3)s2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCTL Q9NXS2 2/20 0.41
QPCT Q16769 1/20 0.41
PPARD Q03181 14/20 0.39
PPARA Q07869 10/20 0.39
PPARG P37231 3/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL31333728 0.84 PPARD (0.43) QPCTLQPCTPPARDPPARAPPARG
SCHEMBL25397724 0.83 PPARD (0.48) QPCTLQPCTPPARDPPARAPPARG
SCHEMBL25394549 0.78 PPARD (0.58) PPARDPPARAPPARG
SCHEMBL25397527 0.77 PPARD (0.58) PPARDPPARAPPARGHPGDMAPT
SCHEMBL25400281 0.76 PPARD (0.49) QPCTLQPCTPPARDPPARAPPARG
SCHEMBL25396403 0.76 KDM4E (0.43) QPCTLQPCTPPARDPPARAPPARG
SCHEMBL31408955 0.76 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL25397032 0.75 PPARD (0.47) QPCTLQPCTPPARDPPARAPPARG
SCHEMBL31333933 0.75 PPARD (0.41) QPCTLQPCTPPARDPPARAPPARG
SCHEMBL25398941 0.74 PPARD (0.46) QPCTLQPCTPPARDPPARAPPARG

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
WO-2023177146-A1 THIADIAZOLE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, INCLUDING SAME 재단법인 대구경북첨단의료산업진흥재단 2023-09-21 WO disclosed