SCHEMBL19436975

SCHEMBL19436975

COc1ccc(OC)c(C=C(C(=O)O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C1 Q04828 1/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.47
AR P10275 1/20 0.46
HPGD P15428 2/20 0.46
TLR9 Q9NR96 1/20 0.46

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
SCHEMBL19436973 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2008010 0.80 AR (0.64) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10693625 0.80 AR (0.64) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2008011 0.80 AR (0.64) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL19436965 0.79 TLR9 (0.59) MEN1KMT2AALDH1A1MAPTAKR1C3
SCHEMBL19436967 0.79 TLR9 (0.59) MEN1KMT2AALDH1A1MAPTAKR1C3
SCHEMBL6379914 0.73 TSHR (0.50) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL6379911 0.73 TSHR (0.50) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL13744802 0.72 AKR1C2 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL269614 0.72 AKR1C3 (0.63) MEN1KMT2AALDH1A1MAPTAKR1C3

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-2017176930-A1 DIPHENYLACRYLIC ACID DERIVATIVES THAT PROMOTE BONE AND CARTILAGE GROWTH EMORY UNIVERSITY (US) 2017-10-12 WO disclosed