SCHEMBL11236768

SCHEMBL11236768

CCCCCCCCCCCCCCCCNc1ccc(C=CC(=O)NCCS(=O)(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
APP P05067 1/20 0.53
HTR1A P08908 2/20 0.50
HTR2C P28335 2/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
SELP P16109 1/20 0.46
PYGL P06737 5/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL11228943 0.83 EGFR (0.52) EGFRAPPHTR1AHTR2CHTR2A
SCHEMBL9987719 0.82 EGFR (0.56) EGFRAPP
SCHEMBL9987722 0.82 EGFR (0.56) EGFRAPP
SCHEMBL11237104 0.79 EGFR (0.56) EGFRAPPALDH1A1SMN1; SMN2SELP
SCHEMBL11238128 0.79 EGFR (0.56) EGFRAPPALDH1A1SMN1; SMN2SELP
SCHEMBL11240642 0.79 EGFR (0.56) EGFRAPPALDH1A1SMN1; SMN2SELP
SCHEMBL11240644 0.79 EGFR (0.56) EGFRAPPALDH1A1SMN1; SMN2SELP
SCHEMBL11240157 0.79 EGFR (0.56) EGFRAPPALDH1A1SMN1; SMN2SELP
SCHEMBL11239779 0.79 EGFR (0.56) EGFRAPPALDH1A1SMN1; SMN2SELP
SCHEMBL11249500 0.79 EGFR (0.56) EGFRAPPALDH1A1SMN1; SMN2SELP

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-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed