SCHEMBL19333409

SCHEMBL19333409

CC(=O)SC(C(=O)CO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
PAX8 Q06710 1/20 0.40
TRPA1 O75762 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
POLB P06746 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL16840087 0.86 PKM (0.45) MAPTPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL16840071 0.82 GPR139 (0.42) MAPTPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL2119361 0.81 CYP2D6 (0.46) MAPTPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL7303575 0.81 CYP2D6 (0.46) MAPTPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL16840085 0.79 L3MBTL1 (0.39) MAPTPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL19716698 0.78 EPHX1 (0.51) LMNASLC6A3
SCHEMBL11262314 0.74 MAPT (0.47) MAPTPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL3056114 0.72 SLC6A3 (0.47) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL1959777 0.71 TSHR (0.46) MAPTLMNATSHRMEN1KMT2A
SCHEMBL10728103 0.71 PTGS2 (0.48) GAATRPA1

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-9758606-B2 Cyclopropenium polymers and methods for making the same THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-12 US disclosed