SCHEMBL10018168

SCHEMBL10018168

COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PTGS2 P35354 4/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALKBH3 Q96Q83 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ NR1I2 O75469 1/20 0.39

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
SCHEMBL10018170 0.99 HTT (0.56) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL10018169 0.94 HTT (0.52) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL822849 0.94 HTT (0.61) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL10034457 0.89 HTT (0.61) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL12678115 0.87 SYK (0.45) HTTL3MBTL1ALDH1A1ALKBH3KDM4E
SCHEMBL12585649 0.86 HTT (0.50) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL9891116 0.86 ALDH1A1 (0.51) HTTSMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL13670320 0.86 HTT (0.52) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL10034487 0.86 SMN1; SMN2 (0.52) HTTSMN1; SMN2TDP1L3MBTL1PTGS2
SCHEMBL13665720 0.86 HTT (0.52) HTTSMN1; SMN2TDP1L3MBTL1PTGS2

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-20120016043-A1 POLY(ARYLENE ETHER) COPOLYMER HAVING CATION-EXCHANGE GROUP, PROCESS OF MANUFACTURING THE SAME, AND USE THEREOF HYUNDAI MOTOR COMPANY (KR) 2012-01-19 — — US disclosed
US-8084568-B1 Poly(arylene ether) copolymer having cation-exchange group, process of manufacturing the same, and use thereof HYUNDAI MOTOR COMPANY (KR) 2011-12-27 — — US disclosed
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