SCHEMBL3145997

SCHEMBL3145997

CC1(C)c2ccccc2-c2c1c1c(c3ccccc23)OC(c2ccccc2)(c2ccc(N3CCCCC3)cc2)C=C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.32
MAPT P10636 2/20 0.32
PDK2 Q15119 1/20 0.31
IDH1 O75874 1/20 0.31
CHRM5 P08912 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
SCHEMBL25604440 0.98 APP (0.33) APPMAPTPDK2CHRM5
SCHEMBL24620697 0.97 APP (0.33) APPMAPTPDK2
SCHEMBL19547563 0.94 MAPT (0.30) MAPT
SCHEMBL3147166 0.94 NPC1 (0.33) APPMAPTPDK2CHRM5
SCHEMBL25604183 0.93 PDK2 (0.33) APPMAPTPDK2CHRM5
SCHEMBL4040445 0.93 PGR (0.33) APPMAPTPDK2CHRM5
SCHEMBL3155860 0.93 ALDH1A1 (0.33) MAPTPDK2
SCHEMBL25604193 0.93 PDK2 (0.31) PDK2
SCHEMBL14617523 0.92 PGR (0.34) MAPT
SCHEMBL25604441 0.92 PDK2 (0.35) MAPTPDK2

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-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
EP-1966180-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2015-02-18 EP disclosed
EP-1963896-B1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-02-10 EP disclosed