SCHEMBL11241408

SCHEMBL11241408

CC(C)(C(=O)CC1CCCC1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPA P38571 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
CA9 Q16790 2/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
METAP1 P53582 1/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
EPHX1 P07099 1/20 0.36
FDPS P14324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL11239909 0.98 MMP2 (0.41) LIPACA12CA1CA2MMP1
SCHEMBL11253300 0.83 HPGD (0.41) CA12CA1CA2MMP1MMP2
SCHEMBL11240530 0.81 HPGD (0.43) CA12CA1CA2MMP1MMP2
SCHEMBL11242725 0.81 HPGD (0.43) CA12CA1CA2MMP1MMP2
SCHEMBL11241149 0.79 CYP1A2 (0.41) CA12CA1CA2MMP1MMP2
SCHEMBL9662429 0.77 LIPA (0.44) LIPAKMT2AHPGDEPHX1SMN1; SMN2
SCHEMBL8242270 0.75 HPGD (0.45) LIPAKMT2AHPGDEPHX1NPC1
SCHEMBL11241635 0.74 LIPA (0.33) LIPAMETAP1HPGDFDPS
SCHEMBL12208661 0.73 LIPA (0.44) LIPAKMT2AHPGDEPHX1SMN1; SMN2
SCHEMBL11244276 0.72 CA12 (0.38) CA12CA1CA2MMP1MMP2

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
US-4361577-A ANTIULCER AND LUTEOLYTIC AGENTS CARLO ERBA - S.P.A. (IT) 1982-11-30 US disclosed
US-4169145-A ANTIULCER AGENTS, LUTEOLYTIC ABORTIFACIENTS, OXYTOCICS CARLO ERBA S.P.A. (IT) 1979-09-25 US disclosed
US-4035415-A GASTROINTESTINAL DISORDERS CARLO ERBA, S.P.A. (IT) 1977-07-12 US disclosed