SCHEMBL9847111

SCHEMBL9847111

CC(O)COc1ccc2oc(C(=O)O)cc(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 5/20 0.53
LOXL2 Q9Y4K0 2/20 0.50
USP2 O75604 1/20 0.50
CSNK2A2 P19784 1/20 0.50
PTGS1 P23219 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48
GPR35 Q9HC97 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGER4 P35408 1/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 2/20 0.46
AKR1B1 P15121 1/20 0.45

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
SCHEMBL11058733 0.91 GPR35 (0.58) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL9847179 0.90 KDM4E (0.67) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL5563599 0.85 KDM4E (0.61) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL11252347 0.83 SIGMAR1 (0.59) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL11834098 0.83 GPR35 (0.50) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL11836929 0.82 GPR35 (0.49) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL9847109 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL11237289 0.81 GPR35 (0.79) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL3866 0.81 GPR35 (0.79) ALDH1A1KDM4ELOXL2USP2CSNK2A2
SCHEMBL5319417 0.81 KDM4E (0.78) ALDH1A1KDM4EUSP2CSNK2A2PTGS1

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-0413583-A2 Clear, stable cromolyn formulation DEY LABORATORIES; INC. (US) 1991-02-20 EP claimed
EP-0413583-A2 Clear, stable cromolyn formulation DEY LABORATORIES; INC. (US) 1991-02-20 EP disclosed