SCHEMBL11722992

SCHEMBL11722992

NNC(=O)OCc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MPO P05164 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM5A P29375 1/20 0.50
BLM P54132 1/20 0.50
GFER P55789 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
IDO1 P14902 2/20 0.48
MIF P14174 2/20 0.46
LMNA P02545 1/20 0.46
CA2 P00918 3/20 0.45
PRSS1 P07477 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45

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
SCHEMBL156297 0.84 CA12 (0.62) KMT2ALMNACA2CA12CA1
Water SCHEMBL30097036 0.82 CA12 (0.60) KMT2ALMNACA2CA12CA1
Hydrochloric Acid SCHEMBL7026708 0.82 CA12 (0.60) KMT2ALMNACA2CA12CA1
SCHEMBL669426 0.82 ALDH1A1 (0.65) MEN1KMT2AIDO1MIFCA2
Hydrazine SCHEMBL28937719 0.81 CA12 (0.58) KMT2ALMNACA2CA12CA1
SCHEMBL28254012 0.80 ALDH1A1 (0.41) MEN1KMT2ALMNACA2PRSS1
SCHEMBL14008716 0.80 TPSAB1 (0.40) LMNACA2PRSS1TPSAB1TPSD1
SCHEMBL4416640 0.80 SMN1; SMN2 (0.61) MEN1KMT2ALMNAALDH1A1
SCHEMBL452919 0.80 MEN1 (0.55) MEN1KMT2AIDO1MIFLMNA
SCHEMBL452918 0.80 MEN1 (0.55) MEN1KMT2AIDO1MIFLMNA

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-4021387-A PARASITICIDES, ANAPHYLAXIS, BRONCHIAL ASTHMA PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1977-05-03 US disclosed