SCHEMBL10463273

SCHEMBL10463273

CCCc1c(C(=O)O)c(=O)cc(-c2ccc(F)cc2)n1CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 6/20 0.50
ALOX15 P16050 5/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
USP2 O75604 2/20 0.50
GLA P06280 2/20 0.46
ADORA2B P29275 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL10463651 0.76 HPGD (0.49) ALDH1A1KDM4EADORA2BHPGDSMN1; SMN2
SCHEMBL10463513 0.75 OXER1 (0.42) ALDH1A1KDM4EHPGDSMPD1
SCHEMBL10461901 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10ALOX15L3MBTL1
SCHEMBL10463550 0.74 CNR2 (0.42) ALDH1A1KDM4EHSD17B10ALOX15MAPK1
SCHEMBL10462930 0.74 HPGD (0.48) ALDH1A1KDM4EADORA2BHPGDSMN1; SMN2
SCHEMBL10461900 0.74 CFTR (0.41) MAPTMEN1POLBKMT2A
SCHEMBL10462787 0.74 OXER1 (0.42) ALDH1A1KDM4EHPGDSMPD1
SCHEMBL10463989 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EADORA2BESR1MAPT
SCHEMBL10596766 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EALOX15MAPK1GLA
SCHEMBL10462415 0.72 KMT2A (0.42) ALDH1A1KDM4EHSD17B10ALOX15MAPK1

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