SCHEMBL9368700

SCHEMBL9368700

CC(C)Cc1ccc(CN(Cc2ccc(CC(C)C)cc2)c2cccc(C(=O)Oc3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.47
▸ CETP P11597 3/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL9538619 0.91 NR3C1 (0.46) PTPN1CETPCRHBPCRHR2MAPT
SCHEMBL9369224 0.84 ACACB (0.46) MAPTTDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL9373488 0.84 PTPN1 (0.51) PTPN1CRHBPCRHR2ALOX5KMT2A
SCHEMBL9541480 0.83 RAB9A (0.45) PTPN1CRHBPCRHR2MAPTTDP1
SCHEMBL9368458 0.83 PTGES (0.45) MAPTTDP1ALOX5KMT2A
SCHEMBL1789016 0.81 MAPT (0.51) MAPTTDP1KMT2AL3MBTL1MAPK1
SCHEMBL9368612 0.80 PTGES (0.52) CETPALOX5KMT2A
SCHEMBL9369194 0.80 NPC1 (0.49) CETPALOX5KMT2A
SCHEMBL1790172 0.79 MAPT (0.50) MAPTTDP1ALOX5KMT2AL3MBTL1
SCHEMBL17236371 0.79 KMT2A (0.55) MAPTTDP1ALOX5KMT2AL3MBTL1

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-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 — — EP disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 — — WO disclosed
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