SCHEMBL7741259

SCHEMBL7741259

CCC(C)OP(=O)(O)c1cc2cc(-c3ccc4ccccc4c3)c(Cl)cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 7/20 0.35
PRKAA1 Q13131 7/20 0.35
PRKAB1 Q9Y478 7/20 0.35
PRKAB2 O43741 3/20 0.34
PRKAA2 P54646 3/20 0.34
PRKAG3 Q9UGI9 3/20 0.34
PRKAG2 Q9UGJ0 3/20 0.34
PTGES O14684 1/20 0.34
FASN P49327 1/20 0.34
PTGER3 P43115 3/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7739851 0.91 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7740615 0.91 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7741122 0.88 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7739647 0.87 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7739968 0.85 GRIN2D (0.34) PRKAG1PRKAA1PRKAB1MEN1MAPT
SCHEMBL7741121 0.84 IDH1 (0.36) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7740618 0.84 PTGES (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7741420 0.84 CHRNA7 (0.36) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7742775 0.84 CYP1A2 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7742690 0.83 PTGES (0.35) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed