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SCHEMBL21173509

SCHEMBL21173509

CCCCCC(CCC)CCc1ccc(-c2ccc(C(=O)Nc3ccc(-c4cc5c(cc4OC)C(C)(C)c4c6c(c7c(Cl)cc(Cl)cc7c4-5)OC(c4ccc(OC)cc4)(c4ccc(OCCCC)cc4)C=C6)cc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ ADCY6 O43306 1/20 0.31
▸ ADCY3 O60266 1/20 0.31
▸ ADCY9 O60503 1/20 0.31
▸ ADCY5 O95622 1/20 0.31
▸ ADCY8 P40145 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ ADCY7 P51828 1/20 0.31
▸ ADCY2 Q08462 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31
▸ ADCY4 Q8NFM4 1/20 0.31
▸ MGAT2 Q10469 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NR1H4 Q96RI1 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
SCHEMBL1331818 0.86 TP53 (0.33) TP53MCHR1MGAT2KDM4ENR1H4
SCHEMBL9967380 0.86 TP53 (0.33) TP53MCHR1MGAT2KDM4ENR1H4
SCHEMBL20752592 0.84 — —
SCHEMBL1333630 0.79 — —
SCHEMBL9968469 0.79 — —
SCHEMBL21704673 0.79 — —
SCHEMBL21704836 0.76 — —
SCHEMBL1331968 0.75 — —
SCHEMBL12573801 0.73 MAPK14 (0.31) —
SCHEMBL6113483 0.72 EIF4A1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651911-B9 LACTONE COMPOUNDS AND MATERIALS MADE THEREFROM TRANSITIONS OPTICAL INC (US) 2019-07-17 — — EP disclosed