SCHEMBL6155465

SCHEMBL6155465

CCOCOCc1cc(OCOCC)cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PLA2G2A P14555 1/20 0.44
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PLA2G4B P0C869 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
BRD2 P25440 1/20 0.38

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
SCHEMBL6154971 0.86 PLA2G2A (0.57) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL16034423 0.86 PLA2G2A (0.53) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6881489 0.86 KDM4E (0.41) MRGPRX4SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL4879634 0.79 KDM4E (0.46) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6155258 0.78 ACHE (0.32) SMN1; SMN2RAB9A
SCHEMBL6157821 0.75 ALDH1A1 (0.31) SMN1; SMN2RAB9A
SCHEMBL6156178 0.75 ALDH1A1 (0.36) SMN1; SMN2RAB9ATDP1NPC1
SCHEMBL25236496 0.74 SMN1; SMN2 (0.53) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL31359135 0.74 SMN1; SMN2 (0.53) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL4876609 0.74 RAB9A (0.45) MRGPRX4SMN1; SMN2TP53PKMNFKB1

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