SCHEMBL9023029

SCHEMBL9023029

CCC(C)C(CC)(CC)C(=O)OP(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
CA4 P22748 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL17617109 0.75 MMP8 (0.41)
Ammonia Solution, Strong SCHEMBL28085900 0.73 MMP8 (0.40)
SCHEMBL28972395 0.73 TSHR (0.33)
SCHEMBL527061 0.71 CA4 (0.39) MMP1MMP2MMP3CA4
SCHEMBL2649989 0.70 CA4 (0.37) CA4
SCHEMBL7655070 0.70 PEPD (0.38) CA4
SCHEMBL13166436 0.69 TAS1R3 (0.33) MMP1MMP2MMP3
SCHEMBL1959317 0.69 MEN1 (0.31)
SCHEMBL28972441 0.68 TSHR (0.46)
SCHEMBL9718192 0.67 CA4 (0.34) CA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
US-5468898-A Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-21 US disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 US disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO disclosed