SCHEMBL9317072

SCHEMBL9317072

O=C(OCCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
TSHR P16473 2/20 0.63
TP53 P04637 1/20 0.63
GLA P06280 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HIF1A Q16665 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 4/20 0.62
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
GPR52 Q9Y2T5 1/20 0.54
HRH3 Q9Y5N1 2/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL786986 0.90 CDC25B (0.61) ALDH1A1HPGDL3MBTL1TSHRKDM4E
SCHEMBL28129660 0.88 ALDH1A1 (0.57) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL290777 0.85 TSHR (0.77) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL3048365 0.84 ALDH1A1 (0.65) ALDH1A1HPGDL3MBTL1RAB9ATSHR
SCHEMBL27540941 0.83 HRH3 (0.66) ALDH1A1HPGDL3MBTL1TSHRTP53
SCHEMBL7137986 0.83 HRH3 (0.66) ALDH1A1L3MBTL1TSHRTP53CYP3A4
SCHEMBL14440784 0.83 HRH3 (0.58) ALDH1A1HPGDL3MBTL1TSHRTDP1
SCHEMBL2119496 0.83 TSHR (0.72) ALDH1A1HPGDTSHRKDM4EHRH3
SCHEMBL29534446 0.82 HRH3 (0.57) ALDH1A1HPGDL3MBTL1NPC1KDM4E
SCHEMBL1737390 0.82 HRH3 (0.57) ALDH1A1HPGDL3MBTL1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362607-A Photo-patternable in absence of moisture; treating substrate with positive resist composition, baking, irradiating resist in patterned way, heating, developing; resist of water-soluble phenolic resin, tertiary butyl compound, aryl onium salt MICROSI, INC. (US) 1994-11-08 US claimed
US-5310619-A Resist compositions comprising a phenolic resin, an acid forming onium salt and a tert-butyl ester or tert-butyl carbonate which is acid-cleavable MICROSI, INC. (US) 1994-05-10 US claimed
CN-101370467-A Solubilizing agents for active or functional organic compounds ISP INVESTMENTS INC (US) 2009-02-18 CN disclosed