SCHEMBL9538619

SCHEMBL9538619

CC(C)Cc1ccc(CN(Cc2cccc(C(=O)Oc3ccccc3)c2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.46
▸ CETP P11597 2/20 0.46
▸ PTPN1 P18031 3/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ CNR2 P34972 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ MEP1A Q16819 1/20 0.40
▸ MEP1B Q16820 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL9368700 0.91 PTPN1 (0.47) NR3C1CETPPTPN1ALOX5MAPT
SCHEMBL9368612 0.87 PTGES (0.52) CETPALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL9538478 0.86 PTGES (0.53) ALOX5MEN1KMT2APTGESPPARG
SCHEMBL9369316 0.85 MEP1B (0.50) PTPN1ALOX5MEP1AMEP1B
SCHEMBL1789016 0.84 MAPT (0.51) SMN1; SMN2MAPTTDP1KMT2AL3MBTL1
SCHEMBL9368458 0.83 PTGES (0.45) ALOX5MAPTTDP1MEN1KMT2A
SCHEMBL9369194 0.82 NPC1 (0.49) CETPALOX5MEN1KMT2APTGES
SCHEMBL9369195 0.81 SLC7A5 (0.44) ALOX5SMN1; SMN2MAPTTDP1
SCHEMBL9369770 0.81 MRGPRX4 (0.56) SMN1; SMN2
SCHEMBL9369224 0.78 ACACB (0.46) SMN1; SMN2MAPTTDP1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 — — WO disclosed
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