SCHEMBL17166011

SCHEMBL17166011

O=C(O)c1csc(-c2ccc(O)c(O)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
PLA2G10 O15496 1/20 0.56
KDM4E B2RXH2 4/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
PKM P14618 2/20 0.55
HPGD P15428 2/20 0.55
ALOX12 P18054 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL1785557 0.81 ALDH1A1 (0.73) ALDH1A1PLA2G10KDM4EPOLBHPGDS
SCHEMBL25413652 0.79 KDM4E (0.62) ALDH1A1PLA2G10KDM4EMAPTMEN1
SCHEMBL14566274 0.79 ALDH1A1 (0.60) ALDH1A1PLA2G10KDM4ESMN1; SMN2HPGDS
SCHEMBL26125806 0.79 KDM4E (0.69) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL2104811 0.78 ALDH1A1 (0.73) ALDH1A1PLA2G10KDM4EMEN1KMT2A
SCHEMBL26319518 0.78 ALDH1A1 (0.73) ALDH1A1KDM4EMAPTSMN1; SMN2HPGDS
SCHEMBL352152 0.78 HPGDS (0.73) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL3098211 0.77 ALDH1A1 (1.00) ALDH1A1PLA2G10KDM4EGAAPOLB
SCHEMBL3412110 0.77 ALDH1A1 (0.71) ALDH1A1PLA2G10KDM4EMAPTGAA
SCHEMBL10037306 0.77 ALDH1A1 (0.71) ALDH1A1PLA2G10KDM4EGAAPOLB

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-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US disclosed
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US disclosed