SCHEMBL9817526

SCHEMBL9817526

CCCCCCCCCCc1cnc(-c2ccc(C(=O)Oc3ccc(CCCCCCCCC)cc3F)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 9/20 0.60
▸ MAPT P10636 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ RAB9A P51151 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ RARA P10276 2/20 0.45
▸ RARG P13631 1/20 0.45
▸ MTOR P42345 1/20 0.44
▸ THRB P10828 2/20 0.42

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
SCHEMBL10553286 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10551863 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10552017 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10548581 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10548640 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10551055 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10553308 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10551092 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10554013 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10553459 1.00 RARB (0.60) RARBMAPTSMN1; SMN2RAB9AMEN1

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
US-5055221-A Rapidly switching ferroelectric display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 — — US disclosed
US-4820839-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-11 — — US disclosed
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