SCHEMBL8842800

SCHEMBL8842800

O=C(O)C(Sc1ccccc1)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
LAP3 P28838 3/20 0.37
ANPEP P15144 3/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
LMNA P02545 1/20 0.37
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACP3 P15309 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL28949706 0.73 BCAT2 (0.51) LMNAPKM
SCHEMBL9652018 0.72 MMP2 (0.64) SRCLAP3ANPEPMMP2MMP8
SCHEMBL8842687 0.71 MTNR1A (0.43) SRCMMP2MMP8CYP2C19
SCHEMBL14574452 0.70 DPP4 (0.48) SRCLMNAPKM
SCHEMBL13845009 0.70 DPP4 (0.48) SRCLMNAPKM
SCHEMBL9114244 0.69 SRC (0.54) SRCLMNAACP3
SCHEMBL8843040 0.69 FOLH1 (0.30)
SCHEMBL15768221 0.69 LMNA (0.43) SRCLMNACYP2C9CYP2C19HSD17B10
SCHEMBL15781198 0.69 LMNA (0.43) SRCLMNACYP2C9CYP2C19HSD17B10
SCHEMBL2225088 0.68 SRC (0.52) SRCLMNAACP3

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
US-5683994-A BONE DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1997-11-04 US claimed
US-5683994-A BONE DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1997-11-04 US disclosed