SCHEMBL9113902

SCHEMBL9113902

C=C(C(=O)O)c1occc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNA7 P36544 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL353929 0.79
Water SCHEMBL28228819 0.77 KDM4E (0.52) KDM4EMAPTALDH1A1THRBSMN1; SMN2
Hydrochloric Acid SCHEMBL11657154 0.77 KDM4E (0.52) KDM4EMAPTALDH1A1THRBSMN1; SMN2
Methane SCHEMBL28151761 0.77 KDM4E (0.52) KDM4EMAPTALDH1A1THRBSMN1; SMN2
SCHEMBL10417495 0.76 KDM4E (0.55) KDM4EMAPTALDH1A1THRBSMN1; SMN2
SCHEMBL29281945 0.76 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL8665365 0.74 CHRNA4 (0.44) KDM4EMAPTTDP1L3MBTL1CHRNA4
SCHEMBL26622205 0.74
SCHEMBL5319584 0.74
SCHEMBL353705 0.72

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
JP-5294951-A None JP disclosed
US-5424164-A Image forming method FUJI PHOTO FILM CO., LTD (JP) 1995-06-13 US disclosed
JP-H05294951-A ALPHA-METHYL-2-FURYLACRYLIC ACID ANHYDRIDE TOKUYAMA SODA CO LTD 1993-11-09 JP disclosed