SCHEMBL15724562

SCHEMBL15724562

CCCCCCCCc1cc(C)sc1-c1cc(CCCCCCCC)c(-c2ccc(-c3sc(-c4sc(-c5ccc(-c6cc(CCCCCCCC)c(-c7cc(CCCCCCCC)c(-c8ccc(-c9sc(-c%10sc(OC)cc%10CCCCCCCC)cc9CCCCCCCC)s8)s7)s6)s5)cc4CCCCCCCC)cc3CCCCCCCC)s2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.33
▸ PTGS2 P35354 4/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ PPARA Q07869 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL15724613 0.93 ALOX5 (0.32) ALOX5PTGS2HTR2A
SCHEMBL12144812 0.89 ALOX5 (0.36) ALOX5PTGS2MEN1TP53CYP3A4
SCHEMBL85701 0.89 ALOX5 (0.36) ALOX5PTGS2MEN1TP53CYP3A4
SCHEMBL14369632 0.89 ALOX5 (0.36) ALOX5PTGS2MEN1TP53CYP3A4
SCHEMBL2737068 0.89 ALOX5 (0.36) ALOX5PTGS2MEN1TP53CYP3A4
SCHEMBL15724567 0.88 — —
SCHEMBL13208036 0.87 — —
SCHEMBL13056552 0.85 TYR (0.33) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL13410156 0.85 KCNH2 (0.34) ALOX5MEN1TP53CYP3A4MAPT
SCHEMBL2737058 0.85 KCNH2 (0.34) ALOX5MEN1TP53CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9184315-B2 Photoelectric materials and preparation thereof NANKAI UNIVERSITY (CN) 2015-11-10 — — US disclosed
US-20140142308-A1 PHOTOELECTRIC MATERIALS AND PREPARATION THEREOF NANKAI UNIVERSITY (CN) 2014-05-22 — — US disclosed
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