SCHEMBL9752014

SCHEMBL9752014

Cc1cccc2c1Cc1ccccc1OC(C)(C(=O)O)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
RPA1 P27694 1/20 0.33
MCL1 Q07820 1/20 0.33
MYC P01106 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CXCR5 P32302 6/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10471441 0.73 POLB (0.44) TP53MYCMAOAMAOBALDH1A1
SCHEMBL29527796 0.72 MAOA (0.59) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL3257951 0.72 MAOA (0.59) MAOAMAOBNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL29092000 0.71 MAOA (0.57) MAOAMAOBNPC1RAB9AKDM4E
SCHEMBL9752016 0.69 MAOA (0.41) MAOAMAOBKDM4EALDH1A1GLA
SCHEMBL6559585 0.68 MAOA (0.39) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL10472006 0.67 POLB (0.38) TP53ALDH1A1POLB
SCHEMBL3520901 0.66 POLB (0.47) TP53RAB9AMAPTTRPM8POLB
SCHEMBL9752011 0.66 ALDH1A1 (0.43) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL24440168 0.65 LMNA (0.38) CXCR5KDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed