SCHEMBL13711883

SCHEMBL13711883

CCCCCCc1cc(-c2sc(-c3sc(-c4sc(-c5sc(-c6sc(-c7ccc(-c8ccc(S)cc8)cc7)cc6CCCCCC)cc5CCCCCC)cc4CCCCCC)cc3CCCCCC)cc2CCCCCC)sc1-c1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ TYR P14679 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ICMT O60725 3/20 0.31
▸ RARB P10826 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.30
▸ GCGR P47871 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
SCHEMBL13446388 0.86 MAPT (0.33) ESR1ESR2MAPTTYRTSHR
SCHEMBL13711897 0.82 MEN1 (0.31) MAPTTYRTSHRMEN1TP53
SCHEMBL13208026 0.81 MAPT (0.32) ESR1ESR2MAPTTYRTSHR
SCHEMBL85437 0.81 ESR1 (0.34) ESR1ESR2
SCHEMBL13208025 0.81 MAPT (0.31) MAPTTYRTSHRTHRBBLM
SCHEMBL13208024 0.81 MAPT (0.31) MAPTTYRTSHRTHRBBLM
SCHEMBL13208021 0.81 MAPT (0.31) MAPTTYRTSHRTHRBBLM
SCHEMBL13446389 0.80 LTB4R (0.42) MAPTALOX15
SCHEMBL13711896 0.79 TSHR (0.36) MAPTTYRTSHRMEN1TP53
SCHEMBL85441 0.79 MAPT (0.32) ESR1ESR2MAPTTYRTSHR

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
US-7582897-B2 Organic semiconductor composition, organic semiconductor element, and their manufacturing method KONICA MINOLTA HOLDINGS, INC. (JP) 2009-09-01 — — US disclosed
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