SCHEMBL7349183

SCHEMBL7349183

CC(C)(CN)OC(=O)CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
KDM5C P41229 2/20 0.42
PHF8 Q9UPP1 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
KDM6B O15054 1/20 0.42
KDM4E B2RXH2 3/20 0.39
GABRR1 P24046 2/20 0.38
LMNA P02545 6/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
SLC15A2 Q16348 1/20 0.36
TSHR P16473 3/20 0.34
THRB P10828 3/20 0.34
KMT2A Q03164 3/20 0.34
GABRP O00591 3/20 0.34
GABRD O14764 3/20 0.34
GABRA1 P14867 3/20 0.34
GABRB1 P18505 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 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
SCHEMBL4234652 0.86 ALDH1A1 (0.47) LMNATSHRTHRBKMT2ABLM
SCHEMBL16883005 0.81 EGLN1 (0.43) EGLN1KDM5CPHF8KDM2AKDM6B
SCHEMBL11695072 0.81 ALDH1A1 (0.46) KDM4ELMNATSHRHDAC3HDAC1
SCHEMBL13785296 0.81 EGLN1 (0.43) EGLN1KDM5CPHF8KDM2AKDM6B
SCHEMBL18274730 0.78 KDM4E (0.34) KDM4ELMNACYP2D6
SCHEMBL631111 0.78 EGLN1 (0.48) EGLN1KDM5CPHF8KDM2AKDM6B
SCHEMBL23587983 0.78 EGLN1 (0.41) EGLN1KDM5CPHF8KDM2AKDM6B
SCHEMBL17848826 0.78 FFAR3 (0.41) EGLN1KDM5CPHF8KDM2AKDM6B
SCHEMBL3415684 0.76 EGLN1 (0.39) EGLN1KDM5CPHF8KDM2AKDM6B
SCHEMBL686779 0.76 EGLN1 (0.39) EGLN1KDM5CPHF8KDM2AKDM6B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344957-A Amidinoiphenyl-substituted G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
US-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed