SCHEMBL6955865

SCHEMBL6955865

O=C(O)CC1=Cc2c(Cl)cccc2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.51
ADRA2A P08913 2/20 0.48
CXCL8 P10145 3/20 0.39
ADRA1A P35348 2/20 0.37
TTR P02766 2/20 0.37
AKR1B10 O60218 1/20 0.37
UGT1A9 O60656 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCB11 O95342 1/20 0.37
MT-CO2 P00403 1/20 0.37
ALB P02768 1/20 0.37
UGT1A6 P19224 1/20 0.37
UGT1A1 P22309 1/20 0.37
PTGS1 P23219 1/20 0.37
CXCR1 P25024 1/20 0.37
PTGS2 P35354 1/20 0.37
AGTR2 P50052 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL6954943 0.84 ADRA2A (0.48) AKR1B1ADRA2ACXCL8ABCB11PTGS1
SCHEMBL8097604 0.80 ADRA2A (0.43) ADRA2ACA2ALDH1A1HPGDNOTUM
SCHEMBL6957840 0.78 RXRB (0.41) KMT2ACA2RXRARXRBRXRG
SCHEMBL27499925 0.74 ADRA2A (0.50) ADRA2AADRA1ANOTUMHTR1ACYP2D6
SCHEMBL7294400 0.73 HTR1A (0.44) AKR1B1ADRA2APTGS1GAALMNA
SCHEMBL6955284 0.70 ADRA2A (0.46) ADRA2A
SCHEMBL109215 0.69 AKR1B1 (1.00) AKR1B1ADRA2ACXCL8ADRA1ATTR
SCHEMBL9364446 0.68 AKR1B1 (0.95) AKR1B1ADRA2ACXCL8ADRA1ATTR
Hydrochloric Acid SCHEMBL1374156 0.68 AKR1B1 (0.95) AKR1B1ADRA2ACXCL8ADRA1ATTR
SCHEMBL19732314 0.67 TSHR (0.40) AKR1B1KMT2AALDH1A1NOTUMMEN1

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