SCHEMBL4928563

SCHEMBL4928563

CCCC(O)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(O)cc5)s4)c4nsnc34)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ HSD17B1 P14061 4/20 0.35
▸ HSD17B2 P37059 4/20 0.35
▸ TAAR1 Q96RJ0 3/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NMUR2 Q9GZQ4 1/20 0.33

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
SCHEMBL21846604 0.82 APP (0.61) APPESR2ESR1HSD17B1HSD17B2
SCHEMBL18386374 0.73 CNR2 (0.30) —
SCHEMBL1917704 0.72 TAAR1 (0.56) ESR2ESR1TAAR1HIF1AHTR3A
SCHEMBL11887463 0.70 HSD17B1 (0.38) APPESR2ESR1HSD17B1HSD17B2
SCHEMBL2671959 0.69 CYP2D6 (0.50) APPKDM4EALDH1A1SMN1; SMN2CYP2C9
SCHEMBL22238939 0.69 RAB9A (0.51) APPKDM4EALDH1A1SMN1; SMN2
SCHEMBL18418550 0.69 BDKRB2 (0.38) TDP1ALDH1A1SMN1; SMN2
SCHEMBL18418544 0.69 APP (0.37) APPESR1HIF1ATSHRKDM4E
SCHEMBL22241057 0.69 PTPRF (0.36) APPESR2ESR1TSHRNFKB1
SCHEMBL18418547 0.68 APP (0.31) APPSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120105783-A1 PATTERNED ELECTRONIC AND POLARIZATION OPTICAL DEVICES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2012-05-03 — — US disclosed
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