SCHEMBL11535131

SCHEMBL11535131

CC(Br)CCC(O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.48
KDM4A O75164 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
KDM2A Q9Y2K7 2/20 0.48
TET3 O43151 1/20 0.48
GPR84 Q9NQS5 3/20 0.46
FFAR1 O14842 1/20 0.46
OR51E2 Q9H255 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
GABRR1 P24046 2/20 0.36
CYP1A2 P05177 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3261082 0.81 TET2 (0.67) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL6054264 0.81 TET2 (0.67) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL406554 0.79 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL4140782 0.79 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL14661635 0.79 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL9515485 0.79 TET2 (0.52) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL16600629 0.75 TET2 (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL14661753 0.73 GPR84 (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL14661321 0.73 GPR84 (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL14662505 0.73 GPR84 (0.50) TET2KDM4AKDM4CKDM2ATET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138577-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138573-A 11-Deoxy-2,2-difluoro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138576-A 11-Deoxy-2,2-difluoro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4126754-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1978-11-21 US disclosed