SCHEMBL17036136

SCHEMBL17036136

CC(=O)NCc1ccc(C(C)(O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.60
KMT2A Q03164 1/20 0.56
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
PTPN1 P18031 1/20 0.49
EPHX2 P34913 4/20 0.48
NR1H4 Q96RI1 4/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RIPK1 Q13546 1/20 0.47
ACSS2 Q9NR19 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 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
SCHEMBL25153485 0.83 HDAC1 (0.59) KIF11KMT2AHDAC1HDAC6RAB9A
SCHEMBL4403136 0.81 EPHX2 (0.68) KMT2AHDAC1HDAC6RAB9ALMNA
SCHEMBL97001 0.80 KMT2A (0.68) KMT2AHDAC1HDAC6RAB9ALMNA
SCHEMBL5986990 0.80 KMT2A (0.59) KIF11KMT2AHDAC1HDAC6RAB9A
Hydrochloric Acid SCHEMBL27905582 0.79 KMT2A (0.66) KMT2AHDAC1HDAC6RAB9ALMNA
Bromide SCHEMBL30703423 0.79 KMT2A (0.66) KMT2AHDAC1HDAC6RAB9APTPN1
Acetic Acid SCHEMBL10568555 0.79 KMT2A (0.66) KMT2AHDAC1HDAC6RAB9ALMNA
SCHEMBL12133623 0.78 KMT2A (0.76) KMT2AHDAC1HDAC6RAB9APTPN1
SCHEMBL5988091 0.78 HDAC1 (0.57) KIF11KMT2AHDAC1HDAC6RAB9A
SCHEMBL5801663 0.78 KMT2A (0.65) KMT2AHDAC1HDAC6RAB9ALMNA

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-20150240115-A1 METHOD FOR APPLYING A COATING TO A POLYMERIC SUBSTRATE THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2015-08-27 US disclosed