SCHEMBL28805397

SCHEMBL28805397

CC(C)(C)C(=O)OCCc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 2/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
NMBR P28336 3/20 0.51
GAA P10253 1/20 0.50
STAT3 P40763 1/20 0.50
TP53 P04637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL10105529 0.88 SMN1; SMN2 (0.56) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL27800276 0.86 PKM (0.56) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL6706832 0.84 LMNA (0.64) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL29782982 0.84 LMNA (0.64) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL27468622 0.82 ALDH1A1 (0.69) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL29782944 0.81 ALDH1A1 (0.64) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL153798 0.81 ALDH1A1 (0.64) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL28872567 0.81 NMBR (0.60) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL7088464 0.80 MEN1 (0.58) MAPTMEN1LMNAKMT2AALDH1A1
SCHEMBL27259741 0.79 MEN1 (0.61) MAPTMEN1LMNAKMT2AALDH1A1

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
CN-103012274-A Hydroxamic acid compound, and preparation method and use thereof SHANGHAI HUILUN SCIENCE & TECHNOLOGY CO LTD 2013-04-03 CN disclosed