SCHEMBL8471689

SCHEMBL8471689

O=C(O)c1ccc2c(c1)NCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPK1 P28482 1/20 0.53
ALOX5 P09917 1/20 0.49
HTT P42858 1/20 0.44
SRD5A2 P31213 1/20 0.44
GAA P10253 3/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
ENPP2 Q13822 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL14333085 0.86 TSHR (0.56) ALDH1A1MAPK1GAAMAPTPKM
SCHEMBL3732847 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1ALOX5HTTSRD5A2
SCHEMBL20580612 0.83 MAPT (0.56) ALDH1A1MAPK1ALOX5SRD5A2GAA
Hydrochloric Acid SCHEMBL34474909 0.81 MAPT (0.54) ALDH1A1MAPK1ALOX5SRD5A2GAA
SCHEMBL14333455 0.81 HDAC3 (0.38) ALDH1A1MAPK1ALOX5GAAMAPT
SCHEMBL29363081 0.80 MAPT (0.53) ALDH1A1MAPK1ALOX5SRD5A2GAA
SCHEMBL14407069 0.75 ALOX5 (0.53) ALDH1A1MAPK1ALOX5HTTSRD5A2
SCHEMBL532793 0.75 GAA (0.71) ALDH1A1GAAMAPTPKMTSHR
SCHEMBL883917 0.74 TSHR (0.54) ALDH1A1MAPK1TSHRSMN1; SMN2
SCHEMBL28250258 0.72 KDM4E (0.44) ALDH1A1MAPK1ALOX5HTTSRD5A2

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
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US disclosed
US-5236807-A Negative, hydrazine compound FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed
US-4769316-A Method for restraining the formation of re-reversal negative image in direct positive silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 US disclosed