SCHEMBL6154971

SCHEMBL6154971

CCOCOc1cc(OCOCC)cc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.57
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
PLA2G4B P0C869 2/20 0.45
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
CREBBP Q92793 1/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.41
ALPL P05186 1/20 0.41
CASP6 P55212 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL16034423 0.96 PLA2G2A (0.53) PLA2G2AKMT2AMEN1PLA2G4BBRD4
SCHEMBL6155465 0.86 MRGPRX4 (0.46) PLA2G2AKMT2AMEN1PLA2G4BBRD4
SCHEMBL2655120 0.84 PLA2G2A (0.65) PLA2G2AKMT2AMEN1PLA2G4BBRD4
SCHEMBL12940638 0.83 PLA2G4B (0.64) PLA2G4BTP53PKMSMN1; SMN2TSHR
SCHEMBL6879558 0.82 MAPT (0.47) PLA2G2AKMT2AMEN1NFKB1NFKB2
SCHEMBL8751920 0.82 NQO1 (0.46) PLA2G2ATP53RELASMN1; SMN2TDP1
SCHEMBL2562354 0.81 PLA2G2A (0.56) PLA2G2AKMT2AMEN1PKMMRGPRX4
SCHEMBL3184334 0.80 PLA2G2A (0.59) PLA2G2AKMT2AMEN1PLA2G4BBRD4
SCHEMBL6155467 0.80 PLA2G2A (0.40) PLA2G2AKMT2AMEN1PLA2G4BBRD4
SCHEMBL18500639 0.79 KDM4E (0.49) KMT2AMEN1CREBBPNFKB1NFKB2

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