SCHEMBL6814232

SCHEMBL6814232

CC(C)N(c1ccc(OCc2ccc(C(=O)O)o2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.59
RAB9A P51151 9/20 0.59
POLB P06746 4/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSD17B10 Q99714 1/20 0.53
HSP90AA1 P07900 1/20 0.50
ESR1 P03372 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6814464 0.91 KMT2A (0.61) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6819151 0.85 NPC1 (0.59) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6864083 0.79 NPC1 (0.50) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6855425 0.78 POLB (0.54) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6815339 0.77 POLB (0.77) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6813747 0.76 KMT2A (0.61) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6814497 0.76 POLB (0.75) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6862357 0.76 POLB (0.48) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6811138 0.75 AR (0.64) NPC1RAB9APOLBKDM4ESMN1; SMN2
SCHEMBL6814481 0.75 NPC1 (0.73) NPC1RAB9APOLBKDM4ESMN1; SMN2

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
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO claimed
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 WO disclosed