SCHEMBL7430943

SCHEMBL7430943

O=[C]CC1=CCOc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 4/20 0.33
CYP19A1 P11511 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL8309740 0.84 PKM (0.36) PKMTSHRMAOBCYP19A1ABCG2
SCHEMBL9768971 0.77 PKM (0.38) PKMTSHRMAOBCYP19A1ABCG2
SCHEMBL9724429 0.77 PKM (0.38) PKMTSHRMAOBCYP19A1ABCG2
SCHEMBL295321 0.77 PKM (0.38) PKMTSHRMAOBCYP19A1ABCG2
Hydrochloric Acid SCHEMBL15054537 0.75 PKM (0.37) PKMTSHRMAOBCYP19A1ABCG2
SCHEMBL9043334 0.75 AKR1B1 (0.40) PKMTSHRMAOBCYP19A1
SCHEMBL9834913 0.75 PKM (0.34) PKMTSHR
SCHEMBL293833 0.74 PKM (0.36) PKMTSHRMAOBCYP19A1ABCG2
SCHEMBL3430194 0.73 PKM (0.37) PKMTSHRMAOBCYP19A1
SCHEMBL2004582 0.73 TSHR (0.42) PKMTSHRMAOBCYP19A1ABCG2

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
EP-0651765-A1 ANALOGS OF PTH AND PTHRP, THEIR SYNTHESIS AND USE FOR THE TREATMENT OF OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1995-05-10 EP claimed
WO-1994001460-A1 ANALOGS OF PTH AND PTHRP, THEIR SYNTHESIS AND USE FOR THE TREATMENT OF OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1994-01-20 WO claimed