SCHEMBL6155467

SCHEMBL6155467

CCOCOc1cc(C(=O)O)cc(C(OC)OCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.40
FFAR1 O14842 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
CREBBP Q92793 1/20 0.34
PLA2G4B P0C869 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6881492 0.89 MAPT (0.36) FFAR1KMT2AMEN1TDP1NFKB1
SCHEMBL16034423 0.80 PLA2G2A (0.53) PLA2G2AKMT2AMEN1BRD4BRD2
SCHEMBL6154971 0.80 PLA2G2A (0.57) PLA2G2AKMT2AMEN1BRD4BRD2
SCHEMBL6155263 0.79 FFAR1 (0.34) FFAR1
SCHEMBL6156181 0.78 BCHE (0.32)
SCHEMBL6157824 0.76 FFAR1 (0.32) FFAR1
SCHEMBL4876615 0.72 ALDH1A1 (0.43) PLA2G2AFFAR1KMT2AMEN1PKM
SCHEMBL6155465 0.71 MRGPRX4 (0.46) PLA2G2AKMT2AMEN1BRD4BRD2
SCHEMBL2562354 0.70 PLA2G2A (0.56) PLA2G2AKMT2AMEN1PKMMRGPRX4
SCHEMBL14253744 0.70 CA1 (0.45) TDP1TP53PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed