SCHEMBL8942563

SCHEMBL8942563

CCCNCC(=O)Nc1ccc(OC2CCCCC2)c(NS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
PTGS2 P35354 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP19A1 P11511 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
PTGES O14684 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX4 Q99571 1/20 0.44
LMNA P02545 3/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL8942579 0.88 MEN1 (0.47) RORCPTGS2ALDH1A1CYP19A1MAPT
SCHEMBL8979006 0.87 ALDH1A1 (0.53) RORCPTGS2ALDH1A1CYP19A1MAPT
Propylamine SCHEMBL8942567 0.83 RORC (0.48) RORCPTGS2ALDH1A1CYP19A1MAPT
SCHEMBL8979019 0.78 PTGS2 (0.49) RORCPTGS2ALDH1A1CYP19A1MAPT
SCHEMBL9235400 0.75 PTGS2 (0.46) RORCPTGS2ALDH1A1CYP19A1MAPT
SCHEMBL8979023 0.72 PTGS2 (0.57) PTGS2ALDH1A1CYP19A1MAPTSMN1; SMN2
SCHEMBL8523784 0.69 PTGS1 (0.61) PTGS2ALDH1A1CYP19A1MAPTSMN1; SMN2
SCHEMBL8979070 0.69 CYP19A1 (0.55) PTGS2ALDH1A1CYP19A1MAPTSMN1; SMN2
SCHEMBL22069550 0.69 HRH3 (0.52) RORCALDH1A1SMN1; SMN2P2RX4POLB
SCHEMBL21663533 0.69 POLB (0.68) POLBPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521311-A USEFUL AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS AND ANTI-ALLERGENIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0685461-A1 5-AMINOACETYLAMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-12-06 EP disclosed