SCHEMBL20125317

SCHEMBL20125317

CC(C)(O)OCCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.38
ATM Q13315 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
SCHEMBL218977 0.88 RECQL (0.60) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL6570943 0.83 GAA (0.74) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL2570416 0.80 GAA (0.59) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL3431305 0.79 RECQL (0.69) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL24507059 0.78 GAA (0.71) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL5550792 0.78 GAA (0.66) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL14560518 0.77 TDP1 (0.76) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL4853171 0.77 GAA (0.65) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL17770699 0.77 GAA (0.65) RECQLGAATDP1ALDH1A1CYP1A2
SCHEMBL4851745 0.77 RECQL (0.55) RECQLGAATDP1ALDH1A1CYP1A2

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-4233834-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-3318567-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL Shionogi & Co., Ltd (JP) 2018-05-09 EP disclosed