SCHEMBL8748438

SCHEMBL8748438

CCCCCCCCOC(=O)Nc1ccc(C(=O)[O-])c(O)c1.CCCCCCCCOC(=O)Nc1ccc(C(=O)[O-])c(O)c1.CCCCCCCCOC(=O)Nc1ccc(C(=O)[O-])c(O)c1.[Al+3]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
HPGD P15428 6/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
LMNA P02545 2/20 0.49
EPHX2 P34913 1/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 2/20 0.48
CASP1 P29466 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
Zinc Ion SCHEMBL8720108 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
Zinc Ion SCHEMBL8652992 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
SCHEMBL8748267 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
Zinc Ion SCHEMBL8748626 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
Zinc Ion SCHEMBL8748208 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
SCHEMBL8748179 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
Zinc Ion SCHEMBL8721792 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
SCHEMBL8748418 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
Zinc Ion SCHEMBL388567 0.98 RAB9A (0.51) RAB9AHPGDNPC1SMN1; SMN2CYP1A2
Water SCHEMBL660616 0.96 RAB9A (0.50) RAB9AHPGDNPC1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0534257-B1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS (JP) 1997-03-12 EP disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed