SCHEMBL9811228

SCHEMBL9811228

CCC(C(=O)O)C(CC)(Cc1ccccc1)C(=O)OSc1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ELANE P08246 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TSHR P16473 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL10760409 0.78 SMN1; SMN2 (0.45) POLBSMN1; SMN2RECQLNPC1RAB9A
SCHEMBL10760917 0.75 ALDH1A1 (0.49) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL9305867 0.75 MAPT (0.50) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL9811038 0.73 MAPT (0.53) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10760482 0.72 ALDH1A1 (0.49) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10763180 0.72 ALDH1A1 (0.49) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10755766 0.71 HPGD (0.58) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL10760769 0.71 SMN1; SMN2 (0.50) POLBHPGDALDH1A1MAPTELANE
SCHEMBL10759425 0.71 MAPT (0.56) POLBHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL9811212 0.71 ALDH1A1 (0.46) POLBHPGDALDH1A1MAPTELANE

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
EP-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
US-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 US disclosed