SCHEMBL14770852

SCHEMBL14770852

CCN(c1ccccc1)c1ccccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
TSHR P16473 4/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CFTR P13569 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.43
SLC6A3 Q01959 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSPO P30536 2/20 0.42
GLA P06280 2/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL7021315 0.88 KMT2A (0.51) KMT2ATSHRLMNAALDH1A1CFTR
SCHEMBL3070118 0.83 KMT2A (0.57) KMT2ATSHRLMNAALDH1A1CFTR
SCHEMBL13353027 0.83 KMT2A (0.57) KMT2ATSHRLMNAALDH1A1CFTR
SCHEMBL28773230 0.82 ALDH1A1 (0.46) KMT2ATSHRLMNAALDH1A1MAPT
SCHEMBL7259310 0.81 ALDH1A1 (0.44) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL9486498 0.80 KMT2A (0.57) KMT2ATSHRLMNAALDH1A1CFTR
SCHEMBL25271509 0.79 KMT2A (0.53) KMT2ATSHRLMNAALDH1A1CFTR
SCHEMBL12474134 0.79 KMT2A (0.53) KMT2ATSHRLMNAALDH1A1CFTR
SCHEMBL3862477 0.79 KMT2A (0.49) KMT2ATSHRLMNAALDH1A1CFTR
SCHEMBL26423789 0.79 KMT2A (0.59) KMT2ATSHRLMNAALDH1A1CFTR

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
US-20130065318-A1 DETECTION OF ANALYTES INCLUDING NITRO-CONTAINING ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-03-14 US disclosed