SCHEMBL10706100

SCHEMBL10706100

COCCCc1ccc(CCCCOc2cccc(N(CC(=O)c3ccc(OCc4ccccc4)c(NC=O)c3)Cc3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ LPAR1 Q92633 2/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ MAP2K1 Q02750 2/20 0.39
▸ ADRB2 P07550 2/20 0.38
▸ SMPD1 P17405 1/20 0.38
▸ TSPO P30536 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL10488546 0.82 RAF1 (0.38) RAF1MAP2K1SMPD1KMT2ANPC1
SCHEMBL11824806 0.72 HPGD (0.43) SMPD1KMT2AKDM4ENPC1MEN1
SCHEMBL11826510 0.72 HPGD (0.43) SMPD1KMT2AKDM4ENPC1MEN1
SCHEMBL11670298 0.72 EGFR (0.42) SMPD1KMT2ANPC1MEN1PTPN1
SCHEMBL10917600 0.70 NR4A2 (0.54) SMPD1KMT2AKDM4ENPC1MEN1
SCHEMBL7109250 0.68 NPC1 (0.48) SMPD1KMT2AKDM4ENPC1MEN1
SCHEMBL7610813 0.68 MAOB (0.56) SMPD1KMT2AKDM4ENPC1MEN1
SCHEMBL5936603 0.67 SMPD1 (0.56) SMPD1KMT2AKDM4ENPC1MEN1
SCHEMBL11826519 0.66 BRD4 (0.39) SMPD1KMT2AKDM4ENPC1MEN1
SCHEMBL11824810 0.66 FOLH1 (0.40) SMPD1KMT2AKDM4ENPC1MEN1

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
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 — — EP disclosed
Send feedback