SCHEMBL7283258

SCHEMBL7283258

CC(=O)c1ccccc1OCC(O)CN1CCN(C(C(N)=O)c2c(C)cccc2C)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 17/20 0.68
LMNA P02545 2/20 0.64
KMT2A Q03164 2/20 0.64
USP2 O75604 1/20 0.64
ALDH1A1 P00352 1/20 0.64
TP53 P04637 1/20 0.64
GAA P10253 1/20 0.64
THRB P10828 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL659999 0.89 CYP3A4 (0.64) ABCB1LMNAKMT2AUSP2ALDH1A1
SCHEMBL7291787 0.88 LMNA (0.57) ABCB1LMNAKMT2AUSP2ALDH1A1
Acetic Acid SCHEMBL7282924 0.88 TSHR (0.61) ABCB1LMNAKMT2AUSP2ALDH1A1
Hydrochloric Acid SCHEMBL7292336 0.88 LMNA (0.65) ABCB1LMNAKMT2AALDH1A1TSHR
SCHEMBL7283526 0.85 L3MBTL1 (0.60) ABCB1LMNAKMT2AUSP2TSHR
SCHEMBL7288724 0.85 LMNA (0.55) ABCB1LMNAKMT2AUSP2ALDH1A1
SCHEMBL7289241 0.83 KMT2A (0.58) ABCB1LMNAKMT2AALDH1A1TP53
SCHEMBL10838014 0.83 ABCB1 (0.51) ABCB1LMNAKMT2AUSP2ALDH1A1
SCHEMBL10835718 0.82 USP2 (0.64) ABCB1KMT2AUSP2TSHRMEN1
SCHEMBL7288758 0.82 MAPT (0.53) ABCB1LMNAKMT2AUSP2ALDH1A1

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-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed