SCHEMBL6753402

SCHEMBL6753402

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccccc1Cl

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.83
CNR2 P34972 4/20 0.83
HIF1A Q16665 3/20 0.74
LMNA P02545 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C9 P11712 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
TSHR P16473 1/20 0.74
NFKB1 P19838 1/20 0.74
AKR1C3 P42330 7/20 0.70
AKR1C2 P52895 7/20 0.70
PTGS2 P35354 3/20 0.70
AKR1C4 P17516 2/20 0.70
AKR1C1 Q04828 2/20 0.70
PTGS1 P23219 2/20 0.70
GLO1 Q04760 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
PTGES O14684 1/20 0.70

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
SCHEMBL5801098 0.92 CNR1 (0.73) CNR1CNR2HIF1ALMNACYP1A2
SCHEMBL4322359 0.89 CNR2 (0.85) CNR1CNR2HIF1ALMNACYP1A2
SCHEMBL3240118 0.88 HIF1A (0.72) CNR1CNR2HIF1ALMNACYP1A2
SCHEMBL1082631 0.85 HIF1A (1.00) HIF1ALMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8646699 0.84 HIF1A (0.98) HIF1ALMNACYP1A2CYP2D6CYP2C9
SCHEMBL18500885 0.84 AKR1C3 (0.79) CNR2HIF1ALMNACYP1A2CYP2D6
SCHEMBL3240332 0.84 AKR1C3 (0.75) CNR1CNR2HIF1ALMNACYP1A2
SCHEMBL29454968 0.84 AKR1C3 (0.75) CNR1CNR2HIF1ALMNACYP1A2
Indomethacin SCHEMBL28072579 0.84 PTGS2 (0.98) CNR2HIF1ALMNACYP1A2CYP2D6
SCHEMBL8932650 0.84 CNR2 (1.00) CNR1CNR2HIF1ALMNACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710086-B1 CHEMICALLY MODIFIED PHARMACOLOGICALLY ACTIVE AGENT IN CARRIER; REDUCE THE DAMAGE TO THE GASTROINTESTINAL TRACT MEDINOX, INC. 2004-03-23 US disclosed
US-6361792-B1 Lipid dispersions and methods of use ALLIANCE PHARMACEUTICAL CORP. 2002-03-26 US disclosed
US-4200631-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIULCER AGENTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1980-04-29 US disclosed