SCHEMBL11235129

SCHEMBL11235129

C[C@@H](CC1CCCCC1)C(=O)C(C)(C)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MMP2 P08253 3/20 0.40
CA9 Q16790 3/20 0.40
MMP1 P03956 2/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
METAP1 P53582 1/20 0.39
CTSK P43235 6/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSH P09668 1/20 0.36

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
SCHEMBL11249452 1.00 CA12 (0.40) CA12CA1CA2MMP2CA9
SCHEMBL11245334 0.98 CA12 (0.38) CA12CA1CA2MMP2CA9
SCHEMBL11244276 0.98 CA12 (0.38) CA12CA1CA2MMP2CA9
SCHEMBL11241674 0.98 CA12 (0.38) CA12CA1CA2MMP2CA9
SCHEMBL11235670 0.86 METAP1 (0.38) CA12CA1CA2MMP2CA9
SCHEMBL11250082 0.84 METAP1 (0.37) CA12CA1CA2MMP2CA9
SCHEMBL11242751 0.83 METAP1 (0.35) CA12CA1CA2MMP2CA9
SCHEMBL2438366 0.81 CTSK (0.40) CTSKCTSLCTSBCTSH
SCHEMBL11516522 0.77 METAP1 (0.41) CA12CA1CA2MMP2CA9
SCHEMBL6702235 0.73 CTSK (0.41) CTSKCTSLCTSBCTSH

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