SCHEMBL10758348

SCHEMBL10758348

COC(=O)Cc1ccc(NCCCOCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
RORC P51449 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL10758567 0.92 HPGD (0.51) HPGDALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL10758800 0.82 LTA4H (0.51) ALDH1A1KDM4EKMT2AL3MBTL1MAPK1
SCHEMBL5457081 0.81 MAPT (0.52) ALDH1A1KDM4EL3MBTL1MAPK1LMNA
SCHEMBL11675736 0.80 ALDH1A1 (0.57) ALDH1A1L3MBTL1LMNATDP1SMN1; SMN2
SCHEMBL5450104 0.80 FFAR1 (0.52) ALDH1A1L3MBTL1MAPK1LMNARORC
SCHEMBL10759781 0.80 MAPK1 (0.46) HPGDALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL10754330 0.79 TDP1 (0.46) ALDH1A1KMT2AL3MBTL1CYP4F2CYP4A11
SCHEMBL10759014 0.78 LMNA (0.48) HPGDALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL3105018 0.77 LTA4H (0.52) HPGDALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL10759566 0.77 SPHK1 (0.41) ALDH1A1KDM4EL3MBTL1LMNARORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 US disclosed