SCHEMBL6957840

SCHEMBL6957840

COc1cccc2c1C=C(CC(=O)O)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 3/20 0.41
RXRA P19793 2/20 0.41
RXRG P48443 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL8097787 0.84 TSHR (0.40) BCHEACHESMN1; SMN2LMNAALDH1A1
SCHEMBL6951486 0.81 RXRB (0.38) RXRBRXRARXRGSMN1; SMN2KDM4E
SCHEMBL6955865 0.78 AKR1B1 (0.51) RXRBRXRARXRGLMNACA2
SCHEMBL6954943 0.78 ADRA2A (0.48) RXRBRXRARXRGKDM4EKMT2A
SCHEMBL8970487 0.76 ACHE (0.37) BCHEACHEALDH1A1TDP1
SCHEMBL12635266 0.74 CA12 (0.45) BCHEACHECA12CA1CA2
SCHEMBL7077835 0.72 ACHE (0.38) BCHEACHE
SCHEMBL22568907 0.71 ACHE (0.49) BCHEACHE
SCHEMBL7294400 0.70 HTR1A (0.44) LMNAGAATSHR
SCHEMBL25762694 0.70 CA12 (0.49) BCHEACHESMN1; SMN2LMNACA12

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
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
EP-1010693-A1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed