SCHEMBL8934573

SCHEMBL8934573

COc1cccc2oc(-c3cc(Cl)ccc3O)cc(=O)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 2/20 0.62
ALDH1A1 P00352 6/20 0.60
CYP3A4 P08684 5/20 0.60
KDM4E B2RXH2 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
CYP2C19 P33261 4/20 0.60
TP53 P04637 3/20 0.60
CYP2D6 P10635 3/20 0.60
CYP2C9 P11712 3/20 0.60
HSD17B10 Q99714 2/20 0.60
HPGD P15428 6/20 0.57
MAPT P10636 4/20 0.57
AR P10275 3/20 0.57
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CSNK2A2 P19784 3/20 0.55

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
SCHEMBL8934643 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4KDM4EMEN1KMT2A
SCHEMBL9141909 0.81 AR (0.78) POLHALDH1A1CYP3A4KDM4EMEN1
SCHEMBL9137850 0.80 HPGD (0.75) POLHALDH1A1CYP3A4KDM4EMEN1
SCHEMBL1676007 0.79 ALDH1A1 (0.74) POLHALDH1A1CYP3A4KDM4EMEN1
SCHEMBL4650059 0.77 ATM (0.69) POLHALDH1A1CYP3A4KDM4EMEN1
SCHEMBL26605001 0.77 POLH (1.00) POLHALDH1A1CYP3A4KDM4EMEN1
SCHEMBL8934535 0.76 GABRP (0.62) ALDH1A1KDM4ETP53HSD17B10HPGD
SCHEMBL8934553 0.76 GABRP (0.64) ALDH1A1CYP3A4KDM4EMEN1KMT2A
SCHEMBL4649207 0.76 KDM4E (1.00) POLHALDH1A1CYP3A4KDM4EMEN1
SCHEMBL31675935 0.76 KDM4E (1.00) POLHALDH1A1CYP3A4KDM4EMEN1

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
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed