SCHEMBL7972422

SCHEMBL7972422

COc1ccc(C(=O)C2(c3ccc(-c4cc(C)cc5ccccc45)cc3)OC(=O)C(O)=C2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX5 P09917 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 2/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HDAC4 P56524 1/20 0.35

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
SCHEMBL7968952 0.76 KDM4E (0.38) GPR84MAPTALDH1A1HPGDKDM4E
SCHEMBL13241145 0.75 ACACA (0.55) GPR84MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL7972384 0.74 KDM4E (0.35) GPR84MAPTALDH1A1HPGDKDM4E
SCHEMBL27335273 0.68 GPR84 (0.52) GPR84MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL7956293 0.65 TLR8 (0.39) GPR84CYP1A2MAOBADORA3
SCHEMBL28772805 0.65 ALDH1A1 (0.58) GPR84MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6026415 0.64 KDM4E (0.47) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3033599 0.64 ACACA (0.56) GPR84MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL13241142 0.63 GPR84 (0.52) GPR84ALDH1A1HPGDALOX5MAPK1
SCHEMBL13241182 0.63 CYP1A2 (0.49) GPR84MAPTALDH1A1HPGDSMN1; 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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed