SCHEMBL10577509

SCHEMBL10577509

C#CC(SOSC(C#C)c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ TAAR1 Q96RJ0 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
SCHEMBL10577504 0.79 TSHR (0.36) DPP4TSHRF2TRPA1HTR2A
SCHEMBL29076099 0.76 MIF (0.33) DPP4TSHRF2TRPA1HTR2A
SCHEMBL16569811 0.69 LMNA (0.35) —
SCHEMBL2874877 0.69 TSHR (0.43) DPP4TSHRF2HTR2ATAAR1
SCHEMBL2106150 0.66 TSHR (0.41) DPP4TSHRF2TRPA1HTR2A
SCHEMBL11663962 0.66 DPP4 (0.41) DPP4TSHRF2TRPA1HTR2A
SCHEMBL77245 0.65 DPP4 (0.36) DPP4TSHRF2TRPA1HTR2A
SCHEMBL11132156 0.65 DPP4 (0.48) DPP4F2HTR2ATAAR1
SCHEMBL913100 0.65 KMT2A (0.41) DPP4TSHRF2TAAR1
SCHEMBL3718532 0.65 LMNA (0.41) TSHR

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
CN-107857717-A Aryl sulfoxid es, sulfide compound and its synthetic method and application 华东师范大学 2018-03-30 — — CN disclosed
US-4867915-A LIPOXYGENASE INHIBITORS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-09-19 — — US disclosed
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