SCHEMBL11876012

SCHEMBL11876012

CCC(=O)Nc1cccc2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
TRPV1 Q8NER1 9/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP6 P55212 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
PARP14 Q460N5 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
SCHEMBL28457710 0.90 TRPV1 (0.53) RXFP1MEN1KMT2AGAAPOLB
SCHEMBL8021152 0.88 TRPV1 (0.61) MEN1KMT2ATRPV1MAPT
SCHEMBL11900538 0.85 RAB9A (0.54) MEN1KMT2AGAAPOLBMAPT
SCHEMBL10897449 0.85 RXFP1 (0.53) RXFP1MEN1KMT2AGAAPOLB
SCHEMBL26639942 0.83 CDC25B (0.51) MEN1KMT2APOLBMAPTCYP1A2
Hydrochloric Acid SCHEMBL10898954 0.83 RXFP1 (0.49) RXFP1MEN1KMT2AGAAPOLB
SCHEMBL9156203 0.83 CASP6 (0.64) RXFP1MEN1KMT2AGAAPOLB
SCHEMBL1285414 0.82 MAPT (0.68) MEN1KMT2AGAAPOLBMAPT
SCHEMBL30668538 0.82 MAPT (0.68) MEN1KMT2AGAAPOLBMAPT
SCHEMBL176305 0.81 RXFP1 (0.54) RXFP1MEN1KMT2AGAAPOLB

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-3930672-A Pressure-sensitive copying paper containing lactone compounds derived from pyridine-carboxylic acid HODOGAYA CHEMICAL CO., LTD. (JA) 1976-01-06 US disclosed