SCHEMBL9689969

SCHEMBL9689969

Cc1ccc2cc(-c3nnnn3C(C)C(=O)O)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
PRNP P04156 1/20 0.34

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
SCHEMBL9689487 0.88 HDAC6 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9688900 0.87 KDM4E (0.41) HDAC1HDAC6ALDH1A1RAB9AKDM4E
SCHEMBL9690025 0.80 PPARA (0.42) HDAC6ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL9688550 0.78 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1KDM4EHPGD
SCHEMBL9689971 0.75 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL9689963 0.74 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9688521 0.71 SIGMAR1 (0.38) ALDH1A1RAB9AKDM4EHPGDPRNP
SCHEMBL9469004 0.70 TDP1 (0.42) ALDH1A1KDM4EKMT2APOLBLMNA
SCHEMBL8947138 0.69 KMT2A (0.49) HDAC6ALDH1A1KDM4EKMT2APOLB
SCHEMBL9689433 0.68 ALDH1A1 (0.49) ALDH1A1RAB9AKDM4EHPGDPRNP

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
EP-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed