SCHEMBL28147348

SCHEMBL28147348

CCOC(=O)CCc1c(Br)cccc1Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
EPHX2 P34913 1/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4Z1 Q86W10 1/20 0.38
MEN1 O00255 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
S1PR1 P21453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTA4H P09960 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL27883066 0.88 CYP4F2 (0.45) CYP4F2CYP4A11PDE3BPDE3AALDH1A1
SCHEMBL4033051 0.82 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL535627 0.81 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1GAAMAPT
Benzene SCHEMBL29172594 0.78 CYP4F2 (0.68) CYP4F2CYP4A11ALDH1A1MAPTKMT2A
SCHEMBL2293786 0.78 CYP4F2 (0.72) CYP4F2CYP4A11ALDH1A1MAPTKMT2A
SCHEMBL21225302 0.77 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL27903620 0.77 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL9954458 0.76 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL27713106 0.76 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL18371229 0.76 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1GAAMAPT

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
CN-102791674-B Compound having trimethylene structure, polymer compound containing unit that has trimethylene structure, and reactive compound having trimethylene structure 日立化成株式会社 2017-05-17 CN disclosed
CN-102791674-A Compound having trimethylene structure, polymer compound containing unit that has trimethylene structure, and reactive compound having trimethylene structure HITACHI CHEMICAL CO LTD 2012-11-21 CN disclosed