SCHEMBL10461900

SCHEMBL10461900

CCCc1c(C(=O)O)c(=O)cc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
S1PR2 O95136 1/20 0.41
GLO1 Q04760 1/20 0.39
PPARG P37231 2/20 0.38
FABP4 P15090 1/20 0.38
MDM2 Q00987 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
FEN1 P39748 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL10463273 0.74 ALDH1A1 (0.50) MEN1POLBKMT2AMAPT
SCHEMBL10461901 0.73 ALDH1A1 (0.46) POLBKMT2AMAPT
SCHEMBL10463651 0.72 HPGD (0.49)
SCHEMBL10462930 0.71 HPGD (0.48)
SCHEMBL10463513 0.69 OXER1 (0.42)
SCHEMBL10600220 0.69 NPC1 (0.43) GLO1POLBMAPT
SCHEMBL10462787 0.69 OXER1 (0.42)
SCHEMBL29017857 0.67 SIGMAR1 (0.46) CFTRMEN1POLBKMT2ASIGMAR1
SCHEMBL10392374 0.67 MEN1 (0.47) MEN1POLBKMT2AMAPT
SCHEMBL9330565 0.66 POLB (0.41) S1PR2POLB

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-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed