SCHEMBL9317698

SCHEMBL9317698

CCCCCOC(=O)c1ccc(CCCC)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.64
ALDH1A1 P00352 5/20 0.64
MAPT P10636 5/20 0.64
LMNA P02545 3/20 0.64
CYP3A4 P08684 3/20 0.64
KDM4E B2RXH2 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
CYP1A2 P05177 2/20 0.64
NFKB1 P19838 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 1/20 0.64
PKM P14618 1/20 0.64
ALOX15 P16050 1/20 0.64
THPO P40225 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
KMT2A Q03164 1/20 0.64
HIF1A Q16665 1/20 0.64
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL6717448 0.96 TSHR (0.66) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL6714754 0.91 TSHR (0.59) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL7292768 0.89 NFKB1 (0.61) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL6718182 0.89 ALDH1A1 (0.61) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL27676051 0.88 NFKB1 (0.68) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL11043810 0.88 ALDH1A1 (0.57) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL5015000 0.87 MAPT (0.61) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL6720235 0.86 NFKB1 (0.64) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL11046602 0.85 TSHR (0.57) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL8606381 0.85 NFKB1 (0.71) TSHRALDH1A1MAPTLMNACYP3A4

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
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed