Sugi Predict

Sugi Predict / Compounds / SCHEMBL20042463

SCHEMBL20042463

SCHEMBL20042463

CCCCCCc1cccc(C2(c3cccc(C)c3)c3cc(Br)ccc3-c3sc4c5c(sc4c32)-c2ccc(Br)cc2C5(c2cccc(C)c2)c2cccc(CCCCCC)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 3/20 0.33
▸ LIPG Q9Y5X9 3/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ PPARG P37231 3/20 0.31
▸ PPARA Q07869 3/20 0.31

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
SCHEMBL20044317 0.95 LPL (0.36) LPLLIPGCYP1A2CYP2D6CYP2C19
SCHEMBL9921515 0.88 LPL (0.39) LPLLIPGCYP1A2CYP2D6CYP2C19
SCHEMBL20043827 0.87 NPC1 (0.33) LPLLIPGCYP1A2CYP2D6CYP2C19
SCHEMBL21211606 0.85 ALDH1A1 (0.39) —
SCHEMBL30559937 0.84 NPC1 (0.36) LPLLIPGGPR3
SCHEMBL21196880 0.84 NPC1 (0.36) LPLLIPGGPR3
SCHEMBL26882673 0.84 NPC1 (0.36) LPLLIPGGPR3
SCHEMBL12544748 0.82 LPL (0.43) LPLLIPGCYP1A2CYP2D6CYP2C19
SCHEMBL17289511 0.81 NPC1 (0.35) LPLLIPGGPR3
SCHEMBL18066294 0.81 NPC1 (0.35) LPLLIPGGPR3

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-3523308-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2023-09-06 — — EP disclosed
WO-2018065350-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 — — WO disclosed