SCHEMBL9723008

SCHEMBL9723008

C=C(C)C(=O)OCc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KIF11 P52732 4/20 0.52
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
HCRTR1 O43613 1/20 0.44
RAB9A P51151 1/20 0.44
MAOA P21397 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
NPC1 O15118 1/20 0.41
PDE5A O76074 1/20 0.41
LMNA P02545 1/20 0.41
GABRA1 P14867 1/20 0.41

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
Carbazole SCHEMBL28117037 0.80 KDM4E (0.57) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL16852328 0.80 GAA (0.41) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL13697482 0.78 ALDH1A1 (0.55) KDM4EALDH1A1KIF11KMT2AMAPT
SCHEMBL29503741 0.77 CYP1A2 (0.50) KDM4EALDH1A1KMT2AMAPT
SCHEMBL7076131 0.77 KIF11 (0.52) KDM4EALDH1A1KIF11KMT2AMAPT
SCHEMBL13609729 0.77 CYP1A2 (0.50) KDM4EALDH1A1KMT2AMAPT
SCHEMBL13171565 0.76 CA2 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL10322053 0.75 ALDH1A1 (0.48) KDM4EALDH1A1KMT2ARAB9A
SCHEMBL29503697 0.75 TACR1 (0.47) ALDH1A1RAB9ACTSL
SCHEMBL2619047 0.75 TACR1 (0.47) ALDH1A1RAB9ACTSL

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-5100971-A Photoconductors for use in electrophotographic recording BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed