SCHEMBL9833970

SCHEMBL9833970

CC1(C)OCC(COc2ccc(Oc3ccc(F)cc3)cc2)O1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.50
FPR2 P25090 1/20 0.43
SCN9A Q15858 1/20 0.43
LTA4H P09960 1/20 0.43
CA2 P00918 1/20 0.41
APP P05067 1/20 0.40
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10387224 1.00 MAPK14 (0.50) MAPK14FPR2SCN9ALTA4HCA2
SCHEMBL9833964 1.00 MAPK14 (0.50) MAPK14FPR2SCN9ALTA4HCA2
SCHEMBL9774729 0.96 MAPK14 (0.53) MAPK14CA2APPDRD4MEN1
SCHEMBL9774733 0.96 MAPK14 (0.53) MAPK14CA2APPDRD4MEN1
SCHEMBL7594473 0.91 MAPK14 (0.48) MAPK14FPR2SCN9ACA2
SCHEMBL7595684 0.87 MAPK14 (0.48) MAPK14DRD4TP53TSHR
SCHEMBL8994562 0.87 TDP1 (0.53) MAPK14LTA4HCA2MEN1MAPT
SCHEMBL6267008 0.82 PKM (0.51) MAPK14CA2APPDRD4MEN1
SCHEMBL898113 0.82 CA2 (0.45) MAPK14CA2APPMEN1TP53
SCHEMBL898114 0.82 CA2 (0.45) MAPK14CA2APPMEN1TP53

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
EP-0276196-B1 SUBSTITUTED DIOXOLANE DERIVATIVES CIBA-GEIGY AG (CH) 1991-09-18 EP disclosed
US-4971981-A PESTICIDES, INSECTICIDES, LARVICIDES CIBA-GEIGY CORPORATION (US) 1990-11-20 US disclosed
EP-0276196-A1 Substituted dioxolane derivatives CIBA-GEIGY AG (CH) 1988-07-27 EP disclosed