SCHEMBL8408622

SCHEMBL8408622

CC(c1ccccc1)C(C(=O)O)(C(C)c1ccccc1)C(C(=O)O)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.47
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
PTGS2 P35354 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
SCHEMBL7782715 0.77 SRC (0.40) SRCALDH1A1LMNAKDM4EHPGD
SCHEMBL3386235 0.75 TP53 (0.31) ALDH1A1CYP2D6CYP1A2
SCHEMBL248500 0.70 SRC (0.54) SRCALDH1A1LMNAKDM4EHPGD
SCHEMBL3390806 0.70 SRC (0.54) SRCALDH1A1LMNAKDM4EHPGD
SCHEMBL3398714 0.70 SRC (0.54) SRCALDH1A1LMNAKDM4EHPGD
SCHEMBL23357274 0.69 CYP2D6 (0.44) SRCALDH1A1LMNAKMT2ACYP2D6
Fluoride SCHEMBL9120872 0.69 SRC (0.52) SRCALDH1A1LMNAKDM4EHPGD
SCHEMBL17242270 0.69 CYP2D6 (0.44) SRCALDH1A1LMNAKMT2ACYP2D6
SCHEMBL17242271 0.69 CYP2D6 (0.44) SRCALDH1A1LMNAKMT2ACYP2D6
Ammonia Solution, Strong SCHEMBL27935029 0.69 SRC (0.52) SRCALDH1A1LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591861-B1 Reactivity control in microcrystalline coupler dispersions EASTMAN KODAK CO (US) 1999-07-28 EP claimed