SCHEMBL6015826

SCHEMBL6015826

CC(=O)OCCc1cc[nH]c1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL29952658 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL21351967 0.75 ALDH1A1 (0.36) RAD52ALDH1A1SMN1; SMN2CHRM5CHRM1
SCHEMBL9225445 0.74 GPR84 (0.33)
SCHEMBL11075494 0.71 ALDH1A1 (0.38) RAD52ALDH1A1SMN1; SMN2CHRM5CHRM1
SCHEMBL14833892 0.70 KEAP1 (0.44) RAD52PGR
SCHEMBL6706832 0.68 LMNA (0.64) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
SCHEMBL29782982 0.68 LMNA (0.64) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
SCHEMBL14560403 0.67 RAD52 (0.48) RAD52ALDH1A1HTR1ATSHRLMNA
SCHEMBL11079192 0.67 ALDH1A1 (0.42) RAD52ALDH1A1SMN1; SMN2CHRM5CHRM1
SCHEMBL10782077 0.67 RAD52 (0.44) RAD52ALDH1A1TSHRMEN1KMT2A

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-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed