SCHEMBL11826510

SCHEMBL11826510

CC(C)(C)N(CC(=O)c1ccc(OCc2ccccc2)c(NC=O)c1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EGFR P00533 2/20 0.42
▸ SMPD1 P17405 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ BRD4 O60885 4/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ GCK P35557 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38

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
SCHEMBL11826519 0.91 BRD4 (0.39) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL11824806 0.84 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL11875313 0.83 NPC1 (0.43) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL11670298 0.82 EGFR (0.42) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL11670421 0.81 NPC1 (0.46) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL7109250 0.80 NPC1 (0.48) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL7610813 0.79 MAOB (0.56) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL11820069 0.79 ADRB2 (0.40) BRD4MAPTMAPK1NPSR1MEN1
SCHEMBL10917600 0.79 NR4A2 (0.54) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL11814470 0.79 ABCB1 (0.52) HPGDNPC1RAB9ASMN1; SMN2EGFR

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
US-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 — — US disclosed
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