SCHEMBL4185211

SCHEMBL4185211

CC(=O)OCc1ccc2c(COC(C)=O)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ MIF P14174 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PARP15 Q460N3 1/20 0.39
▸ PARP10 Q53GL7 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
SCHEMBL27585843 0.84 ALDH1A1 (0.51) CYP3A4ALDH1A1KDM4EHSD17B10MTNR1A
SCHEMBL487420 0.82 KMT2A (0.55) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL487508 0.79 ALDH1A1 (0.61) CYP3A4ALDH1A1CA2TACR1L3MBTL1
SCHEMBL9685109 0.78 ALDH1A1 (0.53) CYP3A4ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL4186791 0.78 CYP3A4 (0.59) CYP3A4ALDH1A1KDM4EHSD17B10CA2
SCHEMBL28900127 0.78 MTNR1A (0.38) MTNR1AMTNR1BTACR1MEN1KMT2A
SCHEMBL4354595 0.78 TACR1 (0.40) CYP3A4CA2MTNR1AMTNR1BTACR1
SCHEMBL7747205 0.78 MTNR1A (0.50) ALDH1A1KDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL6709375 0.76 ALDH1A1 (0.73) CYP3A4ALDH1A1KDM4ECA2MIF
SCHEMBL22279217 0.76 TDP1 (0.48) MTNR1AMTNR1BTACR1FFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601775-B2 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2009-10-13 — — US disclosed
US-20060167164-A1 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2006-07-27 — — US disclosed
CN-1656177-A Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON CATALYTIC CHEM IND (JP) 2005-08-17 — — CN disclosed
EP-1507829-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA Nippon Shokubai Co., Ltd. (JP) 2005-02-23 — — EP disclosed
WO-2003099934-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA NIPPON SHOKUBAI CO., LTD. (JP) 2003-12-04 — — WO disclosed
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