SCHEMBL5076009

SCHEMBL5076009

COc1ccccc1OCC(O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP1A2 P05177 2/20 0.60
KDM4E B2RXH2 1/20 0.60
AGTR1 P30556 1/20 0.60
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.53
RXRA P19793 1/20 0.50
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PPARG P37231 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CASR P41180 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
SCHEMBL11291883 0.83 LMNA (0.54) LMNASMN1; SMN2CYP1A2KDM4EAGTR1
SCHEMBL23973559 0.83 KDM4E (0.60) LMNASMN1; SMN2CYP1A2KDM4EKMT2A
SCHEMBL28430550 0.81 LMNA (0.59) LMNASMN1; SMN2CYP1A2KDM4EAGTR1
SCHEMBL28439054 0.81 LMNA (0.59) LMNASMN1; SMN2CYP1A2KDM4EAGTR1
SCHEMBL28430552 0.81 LMNA (0.59) LMNASMN1; SMN2CYP1A2KDM4EAGTR1
SCHEMBL10813524 0.81 GAA (0.50) LMNASMN1; SMN2ATMMAPTL3MBTL1
SCHEMBL29941729 0.80 LMNA (0.82) LMNASMN1; SMN2CYP1A2KDM4EAGTR1
SCHEMBL2328960 0.80 LMNA (0.82) LMNASMN1; SMN2CYP1A2KDM4EAGTR1
SCHEMBL10801283 0.79 ADRB2 (0.55) LMNASMN1; SMN2CYP1A2KDM4EKMT2A
Guaifenesin SCHEMBL28062894 0.79 CYP1A2 (0.84) LMNASMN1; SMN2CYP1A2KDM4EAGTR1

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
US-20190391092-A1 METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) Oregon Institute of Science and Medicine 2019-12-26 US disclosed
US-20080014261-A1 Non-narcotic biphasic release compositions and methods for treatment of coughing, sneezing, rhinorrhea, and/or nasal obstruction EVERETT LABORATORIES, INC. 2008-01-17 US disclosed
US-20080008772-A1 Narcotic biphasic release compositions and methods for treatment of coughing, sneezing, rhinorrhea, and/or nasal obstruction EVERETT LABORATORIES, INC. 2008-01-10 US disclosed