SCHEMBL8299604

SCHEMBL8299604

CCOc1ccc(C(=O)C(=O)O)c2c1oc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAPT P10636 5/20 0.42
RXFP1 Q9HBX9 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.40
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK10 P53779 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 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
SCHEMBL5026641 0.90 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2MAPTRXFP1
SCHEMBL8298813 0.82 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2MAPTLMNA
SCHEMBL3995780 0.81 KMT2A (0.46) CYP19A1CYP11B1CYP11B2MAPTRXFP1
SCHEMBL8301408 0.80 PDE4B (0.45) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL8302105 0.78 PDE4B (0.51) CYP19A1CYP11B1CYP11B2MAPTTSHR
SCHEMBL8302112 0.78 NPC1 (0.46) CYP19A1CYP11B1CYP11B2MAPTTSHR
SCHEMBL14364592 0.78 RXFP1 (0.54) CYP19A1CYP11B1CYP11B2MAPTRXFP1
SCHEMBL8298197 0.77 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2KMT2AF2RL1
SCHEMBL5022276 0.76 EDNRA (0.49) MAPTTSHRALDH1A1HPGDKDM4E
SCHEMBL5022652 0.75 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2MAPTRXFP1

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
WO-2004111044-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS:PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-12-23 WO disclosed