SCHEMBL7306616

SCHEMBL7306616

CCCCCOc1ccc([O])c(OCCCCC)c1OCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ MCHR1 Q99705 2/20 0.40
▸ SMPD1 P17405 3/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ PTPN11 Q06124 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
SCHEMBL1984241 0.82 CYP1A2 (0.52) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL8225071 0.79 L3MBTL1 (0.47) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL5373491 0.78 MCHR1 (0.40) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL8227403 0.78 L3MBTL1 (0.43) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL2051019 0.78 CYP1A2 (0.50) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL1837034 0.78 ESR1 (0.49) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL7308195 0.77 LMNA (0.48) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL1836896 0.76 ESR1 (0.51) LMNAMAPTALDH1A1MEN1NR1I2
SCHEMBL1836823 0.76 ESR1 (0.51) LMNAMAPTALDH1A1MEN1NR1I2
SCHEMBL1842346 0.76 ESR1 (0.51) LMNAMAPTALDH1A1MEN1NR1I2

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 — — US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP disclosed
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