Sugi Predict

Sugi Predict / Compounds / SCHEMBL20044283

SCHEMBL20044283

SCHEMBL20044283

CCCCCCc1ccc(C2(c3ccc(C)cc3)c3cc(-c4ccc(C5OCCO5)s4)ccc3-c3sc4c(c32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2cc(-c3ccc(C5OCCO5)s3)ccc2-4)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGAT2 Q10469 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 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
SCHEMBL20043832 0.89 RAB9A (0.31) RAB9A
SCHEMBL21706475 0.83 RAB9A (0.30) RAB9A
SCHEMBL20044280 0.81 PGR (0.35) MGAT2RARBNPC1RAB9AATM
SCHEMBL20044282 0.76 NPC1 (0.34) RARBNPC1RAB9A
SCHEMBL20246960 0.74 RARB (0.34) MGAT2RARBNPC1RAB9AATM
SCHEMBL20247154 0.73 PGR (0.32) MGAT2RARBNPC1RAB9AATM
SCHEMBL20246959 0.72 PGR (0.35) MGAT2RARBNPC1RAB9AATM
SCHEMBL21949336 0.72 PGR (0.35) MGAT2RARBNPC1RAB9AATM
SCHEMBL26181113 0.72 NPC1 (0.37) RARBNPC1RAB9A
SCHEMBL25451051 0.71 RARB (0.37) MGAT2RARBNPC1RAB9AATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481834-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2023-10-18 — — EP disclosed
WO-2018065356-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 — — WO disclosed
WO-2018065352-A1 ORGANIC PHOTODETECTOR MERCK PATENT GMBH (DE) 2018-04-12 — — WO disclosed