SCHEMBL4596183

SCHEMBL4596183

CCC(C)(CC)C(=O)CC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ CTNNB1 P35222 2/20 0.52
▸ WNT3A P56704 2/20 0.52
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ TPMT P51580 1/20 0.50

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
SCHEMBL480333 0.86 MAPT (0.57) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1659363 0.82 MAPT (0.71) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9145097 0.82 MAPT (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9143802 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9306660 0.78 HPGD (0.55) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL11045656 0.78 MAPT (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1322947 0.78 MAPT (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7380780 0.78 MAPT (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30629388 0.78 CA12 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4438295 0.78 CA12 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 — — WO claimed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 — — WO claimed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 — — WO disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 — — WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 — — WO disclosed
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