SCHEMBL6316455

SCHEMBL6316455

C=C(C)Cc1c(C)c(NC=O)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CYP1A2 P05177 3/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
BLM P54132 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 2/20 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
SCHEMBL6030955 0.73 KDM5A (0.33)
SCHEMBL8714563 0.72 MAOB (0.33) CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL6985671 0.70
SCHEMBL6315669 0.68 NPSR1 (0.39) SMN1; SMN2TP53ALDH1A1MAPTNPSR1
SCHEMBL6980074 0.67 IMPDH2 (0.30)
SCHEMBL6316378 0.66 ALDH1A1 (0.47) HIF1ASMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL8713453 0.65 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPTMEN1TSHR
SCHEMBL9161083 0.65 ALDH1A1 (0.56) HIF1ASMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL12288085 0.62 ALDH1A1 (0.50) HIF1ASMN1; SMN2CYP2C9CYP2C19TP53
SCHEMBL9028145 0.61 KDM4E (0.35) HIF1ASMN1; SMN2CYP2C9CYP2C19TP53

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-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed