SCHEMBL8907740

SCHEMBL8907740

NCCCC(=O)C1(N)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
LMNA P02545 3/20 0.39
BLM P54132 3/20 0.39
TSHR P16473 3/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRR2 P28476 1/20 0.39
SLC6A1 P30531 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL9130901 0.80 TDP1 (0.43) TSHRKMT2AHDAC11ALDH1A1MEN1
SCHEMBL19647418 0.75 CYP1A2 (0.39) CYP1A2LMNABLMTSHRTHRB
Formamide SCHEMBL27697391 0.73 CES1 (0.35) CYP1A2KMT2AALDH1A1MEN1CYP2C19
SCHEMBL6806518 0.71 PAOX (0.37) LMNANPSR1CPB2SMN1; SMN2PAOX
SCHEMBL19733461 0.70 CYP1A2 (0.42) CYP1A2LMNABLMTSHRTHRB
SCHEMBL6800789 0.69 PAOX (0.44) LMNANPSR1CPB2SMN1; SMN2PAOX
SCHEMBL10141113 0.69 TSHR (0.31) CYP1A2LMNABLMTSHRALDH1A1
Gamma-Aminobutyric Acid SCHEMBL3929332 0.67 LMNA (0.83) CYP1A2LMNABLMTSHRTHRB
SCHEMBL19733627 0.67 CYP1A2 (0.41) CYP1A2LMNABLMTSHRTHRB
SCHEMBL28099479 0.66 TSHR (0.42) CYP1A2LMNABLMTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5702955-A Ascorbate resistant detection of hydrogen peroxide BAYER CORPORATION (US) 1997-12-30 US disclosed