SCHEMBL18136334

SCHEMBL18136334

CC(=O)Oc1cc(-c2ccc(OC(C)=O)c(C(=O)O)c2)ccc1C(=O)O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.87
KDM4E B2RXH2 7/20 0.63
HSD17B10 Q99714 4/20 0.59
ALDH1A1 P00352 3/20 0.59
TSHR P16473 3/20 0.59
HPGD P15428 2/20 0.59
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
ESR1 P03372 1/20 0.59
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
HMGB1 P09429 1/20 0.59
GGT1 P19440 1/20 0.59
BLM P54132 1/20 0.59
NAPRT Q6XQN6 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
USP2 O75604 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL16719158 0.93 CFD (0.73) CFDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL16715329 0.93 CFD (1.00) CFDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL10723672 0.87 CFD (0.87) CFDKDM4EHSD17B10ALDH1A1TSHR
Flufenisal SCHEMBL38781 0.84 CFD (0.81) CFDKDM4EHSD17B10ALDH1A1TSHR
Flufenisal SCHEMBL11333508 0.84 CFD (0.81) CFDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL2761803 0.83 KDM4E (0.67) CFDKDM4EHSD17B10ALDH1A1TSHR
Flufenisal SCHEMBL3695160 0.83 CFD (0.79) CFDKDM4EHSD17B10ALDH1A1TSHR
Flufenisal SCHEMBL3693207 0.83 CFD (0.79) CFDKDM4EHSD17B10ALDH1A1TSHR
Acetamide SCHEMBL11796252 0.83 CFD (0.59) CFDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL16719155 0.81 KDM4E (0.69) CFDKDM4EHSD17B10ALDH1A1TSHR

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
EP-3071543-B1 ACETYL SALICYCLIC ACID DIMERS, SYNTHESIS THEREOF, AND USES THEREOF TO PREVENT AND TREAT COMPLEMENT-MEDIATED DISORDERS AURIN BIOTECH INC (CA) 2019-10-02 EP disclosed
US-9751824-B2 Acetyl salicyclic acid dimers, synthesis thereof, and uses thereof to prevent and treat complement-mediated disorders AURIN BIOTECH INC. 2017-09-05 US disclosed
US-20160297743-A1 ACETYL SALICYCLIC ACID DIMERS, SYNTHESIS THEREOF, AND USES THEREOF TO PREVENT AND TREAT COMPLEMENT-MEDIATED DISORDERS AURIN BIOTECH INC. (CA) 2016-10-13 US disclosed