SCHEMBL9723823

SCHEMBL9723823

Cn1ccc(C(=O)O)c1C(=O)c1c(C(=O)O)ccn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
NR4A1 P22736 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C3 P42330 2/20 0.34
HAAO P46952 1/20 0.34
MYC P01106 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 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
SCHEMBL2781478 0.89 NOTUM (0.41) NOTUMPTPN1ALDH1A1ALOX15CYP1A2
SCHEMBL9635530 0.87 ALDH1A1 (0.50) PTPN1ALDH1A1ALOX15KMT2APOLB
SCHEMBL31342301 0.87 AKR1C3 (0.50) NOTUMALDH1A1ALOX15POLBAKR1C3
SCHEMBL7853670 0.82 NOTUM (0.37) NOTUMPTPN1ALDH1A1ALOX15CYP1A2
SCHEMBL28554392 0.80 KDM4E (0.44) NOTUMALDH1A1ALOX15KMT2AMEN1
SCHEMBL4562515 0.76 NOTUM (0.55) NOTUMALDH1A1ALOX15CYP1A2KMT2A
SCHEMBL5493295 0.76 NOTUM (0.41) NOTUMPTPN1ALDH1A1ALOX15CYP1A2
SCHEMBL10940971 0.75 ACMSD (0.42) NOTUMPTPN1ALDH1A1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL30678145 0.74 NOTUM (0.53) NOTUMALDH1A1ALOX15CYP1A2KMT2A
SCHEMBL5173280 0.74 GABRP (0.42) NOTUMPTPN1ALDH1A1ALOX15CYP1A2

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-5164470-A Polymer compositions SHELL OIL COMPANY (US) 1992-11-17 US disclosed