SCHEMBL23722658

SCHEMBL23722658

CCCC(C(=O)ON1C(=O)CCC1=O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
GUSB P08236 1/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL136158 0.91 KDM4E (0.34) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL28692800 0.85 KMT2A (0.37) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL10906637 0.77 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL16428359 0.77 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTKMT2A
Pyrene SCHEMBL5535765 0.76 PSMB8 (0.38) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL5352784 0.74 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL1802924 0.71 KMT2A (0.46) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL25241136 0.71 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL1133424 0.70 KDM4E (0.45) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL10905509 0.70 KMT2A (0.40) ALDH1A1HPGDKDM4EMAPTKMT2A

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-4100739-A1 GRAPHENE-BASED SENSOR FOR DETECTING HEMOGLOBIN IN A BIOLOGICAL SAMPLE Graphene-Dx, Inc. (US) 2022-12-14 EP disclosed
US-20210247409-A1 GRAPHENE-BASED SENSOR FOR DETECTING HEMOGLOBIN IN A BIOLOGICAL SAMPLE GRAPHENE-DX, INC. 2021-08-12 US disclosed
WO-2021159074-A1 GRAPHENE-BASED SENSOR FOR DETECTING HEMOGLOBIN IN A BIOLOGICAL SAMPLE GRAPHENE-DX, INC. (US) 2021-08-12 WO disclosed