SCHEMBL7260704

SCHEMBL7260704

NC(=O)c1cccs1.O=C(O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 2/20 0.49
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DAO P14920 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
POLB P06746 1/20 0.43
CES2 O00748 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
Cyclopentane SCHEMBL29102054 0.85 CES2 (0.58) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL937615 0.79
SCHEMBL120212 0.79
SCHEMBL5046057 0.78 RAB9A (0.58) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL9777027 0.78 RAB9A (0.58) RAB9AHPGDALDH1A1TSHRNPC1
Hydrochloric Acid SCHEMBL485645 0.77
Urea SCHEMBL4239865 0.77 CES2 (0.62) RAB9AHPGDALDH1A1NPC1MEN1
Hydrochloric Acid SCHEMBL3194035 0.77 CES2 (0.62) RAB9AHPGDALDH1A1NPC1MEN1
SCHEMBL7260706 0.77 HPGD (0.57) RAB9AHPGDALDH1A1TSHRNPC1
SCHEMBL7005733 0.76 TSHR (0.57) RAB9AHPGDALDH1A1TSHRNPC1

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
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO claimed