SCHEMBL6949352

SCHEMBL6949352

COc1ccc2c(c1)C=C(CC(=O)O)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
CYP11B2 P19099 1/20 0.43
MTNR1A P48039 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALOX5 P09917 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
AR P10275 2/20 0.39
GLA P06280 1/20 0.39
LCK P06239 1/20 0.39
ALOX15 P16050 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
SCHEMBL11469458 0.89 CYP11B1 (0.48) AKR1C2HSD17B10PTGS1AKR1C3CYP11B2
SCHEMBL7305935 0.87 MTNR1A (0.43) CYP11B2MTNR1AKDM4EALDH1A1HPGD
SCHEMBL8096734 0.85 PPARG (0.42) HSD17B10CYP11B2MTNR1AKDM4EALDH1A1
SCHEMBL6958447 0.81 SRC (0.40) KDM4EALDH1A1SMN1; SMN2PTGDR2MCHR1
SCHEMBL8533789 0.79 CYP11B2 (0.45) CYP11B2MTNR1AALOX5
SCHEMBL7071372 0.79 PPARG (0.41) MTNR1AALDH1A1HPGD
SCHEMBL8483356 0.78 CYP11B2 (0.46) HSD17B10PTGS1CYP11B2MTNR1AKDM4E
SCHEMBL6952817 0.78 ADRA2A (0.48) KDM4ESMN1; SMN2PTGDR2MCHR1RXRA
SCHEMBL11282142 0.75 CYP11B2 (0.44) HSD17B10CYP11B2MTNR1ATSHR
SCHEMBL6951250 0.75 PSEN1 (0.40) HSD17B10PTGS1KDM4EALDH1A1HPGD

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