SCHEMBL85814

SCHEMBL85814

CCCCc1cc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccccc5)cc4)cc3CCCC)s2)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 6/20 0.37
▸ LTB4R Q15722 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL85440 0.97 ALOX15 (0.39) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL85799 0.94 LTB4R (0.40) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL85697 0.93 LTB4R (0.39) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL85806 0.91 LTB4R (0.41) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL85705 0.91 LTB4R (0.41) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL85694 0.90 LTB4R (0.41) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL85459 0.90 LTB4R (0.41) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL13839139 0.89 LTB4R (0.40) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL85689 0.89 LTB4R (0.40) ALOX15LTB4RNPC1ALDH1A1HPGD
SCHEMBL12354335 0.89 LTB4R (0.40) ALOX15LTB4RNPC1ALDH1A1HPGD

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-8129497-B2 Organic thin film transistor KONICA MINOLTA HOLDINGS, INC. (JP) 2012-03-06 — — US disclosed
US-8129497-B2 Organic thin film transistor KONICA MINOLTA HOLDINGS, INC. (JP) 2012-03-06 — — US disclosed
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