SCHEMBL8028268

SCHEMBL8028268

C=C(C)C(=O)OC(CCCCC)c1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.37
PPARG P37231 2/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8028287 0.96 ALDH1A1 (0.39) SLC37A4ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL16181833 0.85 TSHR (0.40) SLC37A4ALDH1A1KDM4ETSHRPPARG
SCHEMBL8038185 0.82 THRB (0.42) SLC37A4ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL27909025 0.81 ALDH1A1 (0.43) SLC37A4ALDH1A1POLBTSHRPPARG
Bromide SCHEMBL16166941 0.81 SLC37A4 (0.36) SLC37A4ALDH1A1KDM4ETSHRPPARG
SCHEMBL4447340 0.80 ALDH1A1 (0.45) SLC37A4ALDH1A1POLBTSHRPRSS1
SCHEMBL6446367 0.80 ALDH1A1 (0.45) SLC37A4ALDH1A1POLBTSHRPRSS1
SCHEMBL1562513 0.80 ALDH1A1 (0.45) SLC37A4ALDH1A1POLBTSHRPRSS1
SCHEMBL28204949 0.79 KDM4E (0.41) SLC37A4ALDH1A1KDM4ETSHRPPARG
Methacrylic Acid SCHEMBL28345316 0.78 ALDH1A1 (0.43) SLC37A4ALDH1A1POLBTSHRPRSS1

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed