SCHEMBL6921360

SCHEMBL6921360

CCOc1ccc(C(=O)O)c2c3c(oc12)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 5/20 0.43
RXRA P19793 3/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
HPGD P15428 6/20 0.39
HSD17B10 Q99714 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FHIT P49789 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.38
MIF P14174 1/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8324231 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8318915 0.77 NPC1 (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL8319163 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8324499 0.73 CNR2 (0.35)
SCHEMBL5026641 0.73 CYP19A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL8320953 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL73099 0.72 PTGDR2 (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6755376 0.71 GFER (0.50) ALDH1A1KDM4ERXRARXRBRXRG
SCHEMBL8323847 0.71 TSHR (0.37) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL72465 0.70 PTGDR2 (0.45) ALDH1A1MAPTKMT2AMEN1SMN1; 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
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed