SCHEMBL10695445

SCHEMBL10695445

C=CC(Oc1ccccc1)c1ncccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
DHODH Q02127 3/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAPRT Q6XQN6 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL27892117 0.77 SMN1; SMN2 (0.53) KDM4ETDP1DHODHALDH1A1NPSR1
SCHEMBL27373458 0.75 PTPN1 (0.45) KDM4EALDH1A1CYP3A4TSHRLMNA
SCHEMBL6054467 0.71 SLC6A2 (0.43) KDM4ETDP1ALDH1A1NPSR1CYP3A4
SCHEMBL3291158 0.71 SLC6A4 (0.39) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2627821 0.70 KDM4E (0.59) KDM4ETDP1DHODHALDH1A1NPSR1
SCHEMBL16508286 0.70 CTNNB1 (0.45) KDM4EALDH1A1MAPTTSHRLMNA
SCHEMBL2559571 0.69 SMN1; SMN2 (0.55) KDM4ETDP1DHODHALDH1A1NPSR1
SCHEMBL25391378 0.69 KDM4E (0.57) KDM4ETDP1DHODHALDH1A1NPSR1
Hydrochloric Acid SCHEMBL17746066 0.69 KDM4E (0.57) KDM4ETDP1DHODHALDH1A1NPSR1
SCHEMBL3932427 0.69 NAPRT (0.58) KDM4ETDP1DHODHALDH1A1NPSR1

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-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed