SCHEMBL9756096

SCHEMBL9756096

O=C(O)Cc1cc2cc(Cl)cc(Cl)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
SIRT1 Q96EB6 1/20 0.42
ACLY P53396 1/20 0.37
GRIN1 Q05586 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR17 Q13304 3/20 0.35
FBP1 P09467 1/20 0.35
AKR1B1 P15121 2/20 0.35
PTGS2 P35354 1/20 0.35
CA2 P00918 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL20570654 0.79 RHEB (0.42) HRH4SIRT1GRIN1KDM4EGRIN2D
SCHEMBL7785465 0.79 DAO (0.51) HRH4SIRT1KDM4EAKR1B1PTGS2
SCHEMBL3274871 0.77 HRH4 (0.56) HRH4GRIN1KDM4EGRIN2DGRIN3B
SCHEMBL24453860 0.77 HRH4 (0.41) HRH4SIRT1GRIN1KDM4EGRIN2D
SCHEMBL1091709 0.74 HRH4 (0.56) HRH4GRIN1KDM4EGRIN2DGRIN3B
SCHEMBL5097277 0.73 SIRT1 (0.74) HRH4SIRT1KDM4EALDH1A1
SCHEMBL3521517 0.73 HRH4 (0.43) HRH4KDM4EALDH1A1HSD17B10
SCHEMBL9270023 0.72 SIRT1 (0.47) SIRT1GRIN1KDM4EGRIN2DGRIN3B
SCHEMBL29062685 0.72 HRH4 (0.55) HRH4GRIN1KDM4EGRIN2DGRIN3B
SCHEMBL5185975 0.71 ALDH1A1 (0.39) HRH4SIRT1KDM4EALDH1A1HSD17B10

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-0256128-B1 INDOLEACETIC ACID DERIVATIVES AND USE THEREOF AS PLANT GROWTH REGULATORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-11-06 EP disclosed