SCHEMBL19005916

SCHEMBL19005916

CCCOc1cc2c(cc1CO)OCS2(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL19005986 0.87 CSNK2A1 (0.34) RAB9AMAPTLMNATP53ALOX15
SCHEMBL19005974 0.71 LMNA (0.38) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL996979 0.70 TUBB4A (0.52) RAB9ANPC1MAPTLMNATP53
SCHEMBL996642 0.69 TNFRSF1A (0.48) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL996646 0.69 TNFRSF1A (0.48) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL18987395 0.67 CHRM4 (0.37) LMNAKDM4EALDH1A1
SCHEMBL19005989 0.67 HDAC1 (0.37) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL16154028 0.67 ERN1 (0.40) RAB9AMAPTLMNATSHRSMN1; SMN2
SCHEMBL23070366 0.64 PSEN1 (0.46) RAB9ANPC1LMNATSHRSMN1; SMN2
SCHEMBL997205 0.64 CA9 (0.40) RAB9ANPC1MAPTNPSR1LMNA

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-2017103637-A1 DIPHENYLPROPANE COMPOUNDS AND THEIR CYTOTOXIC ACTIVITY BLIRT S.A. (PL) 2017-06-22 WO disclosed