SCHEMBL28289352

SCHEMBL28289352

CNc1ccc(C(=O)OCc2ccccc2)cc1.c1ccc(C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSP90AA1 P07900 1/20 0.45
DEGS1 O15121 1/20 0.43
STAT3 P40763 2/20 0.43
FAAH O00519 1/20 0.43
EPHX2 P34913 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL28290801 0.88 RAB9A (0.53) RAB9AKMT2AGAAALDH1A1MAPT
SCHEMBL28290817 0.85 GRIN2B (0.52) RAB9AKMT2AALDH1A1MAPTHPGD
SCHEMBL6425991 0.85 KMT2A (0.69) RAB9AKMT2AGAALMNASLC6A2
SCHEMBL15534528 0.84 HSP90AA1 (0.54) RAB9AKMT2AGAALMNASLC6A2
SCHEMBL4049737 0.82 KMT2A (0.61) RAB9AKMT2ALMNASLC6A2SLC6A3
SCHEMBL28289348 0.82 SGMS2 (0.47) KMT2ALMNAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28289353 0.82 SGMS2 (0.44) RAB9AKMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL20400908 0.77 HSP90AA1 (0.48) RAB9AKMT2AGAALMNASLC6A2
SCHEMBL16766373 0.76 STAT3 (0.46) RAB9AKMT2ALMNASLC6A2SLC6A3
SCHEMBL15984671 0.75 KMT2A (0.58) RAB9AKMT2AGAALMNASLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003104-A Salicyclic acid derivatives, its pharmaceutically acceptable salt, its composition and its application method 多伦多大学管理委员会 2019-07-12 CN disclosed
CN-105120854-B Novel salicylic acid derivatives, pharmaceutically acceptable salts thereof, compositions thereof, and methods of use thereof 多伦多大学管理委员会 2019-04-09 CN disclosed