SCHEMBL2554772

SCHEMBL2554772

CC(C)(C)OC(=O)C(c1ccccc1)N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
ALDH1A1 P00352 3/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
GAA P10253 1/20 0.58
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
TSHR P16473 1/20 0.48
CTSL P07711 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
KCNA5 P22460 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL627950 0.98 LMNA (0.69) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL824995 0.98 LMNA (0.69) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL627949 0.98 LMNA (0.69) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL7657250 0.83 LMNA (0.94) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL1819794 0.81 LMNA (0.97) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL2789416 0.81 LMNA (0.97) LMNAALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL5606289 0.80 LMNA (1.00) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL2550556 0.80 LMNA (0.68) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL8906984 0.80 LMNA (0.65) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL15429939 0.80 LMNA (0.65) LMNAALDH1A1MEN1KMT2AGAA

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
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed