SCHEMBL9541480

SCHEMBL9541480

CC(C)Cc1ccc(COC(=O)c2cccc(N(Cc3ccc(CC(C)C)cc3)Cc3ccc(CC(C)C)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 4/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40

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 0.83 PTPN1 (0.47) MAPTALDH1A1PTPN1KMT2ATDP1
SCHEMBL9373488 0.83 PTPN1 (0.51) ALDH1A1PTPN1KMT2APPARACRHBP
SCHEMBL10106410 0.76 PTPN1 (0.58) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL9538619 0.74 NR3C1 (0.46) MAPTSMN1; SMN2PTPN1KMT2ATDP1
SCHEMBL9369316 0.73 MEP1B (0.50) PTPN1
SCHEMBL21377435 0.72 PTPN1 (0.64) RAB9AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9372770 0.70 SLC7A5 (0.46) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL5335214 0.70 MAPT (0.63) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL6653627 0.70 L3MBTL1 (0.61) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL10145069 0.69 CYP4F2 (0.52) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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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