SCHEMBL20007652

SCHEMBL20007652

O=S(=O)(c1cccc(Cl)c1Cl)N1CC[C@](O)(CO)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
RBP1 P09455 1/20 0.44
PKLR P30613 1/20 0.44
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CCR1 P32246 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
CHRM1 P11229 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TRPV4 Q9HBA0 2/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL23613871 0.80 TRPV4 (0.60) RBP1TRPV4
SCHEMBL20003616 0.80 TRPV4 (0.60) RBP1TRPV4
SCHEMBL20003518 0.80 TRPV4 (0.60) RBP1TRPV4
SCHEMBL20003572 0.78 TRPV4 (0.50) KMT2ARBP1CCR1PKMMEN1
SCHEMBL23613838 0.78 TRPV4 (0.50) LMNARBP1GAAALDH1A1HTT
SCHEMBL20003562 0.78 TRPV4 (0.51) LMNARBP1GAAALDH1A1CCR1
SCHEMBL20007697 0.76 TRPV4 (0.52) RBP1ALDH1A1KDM4EPKMTRPV4
SCHEMBL20007988 0.75 TRPV4 (0.58) TSHRKMT2AALDH1A1MEN1TRPV4
SCHEMBL20003513 0.75 TRPV4 (0.61) TRPV4
SCHEMBL20003510 0.75 TRPV4 (0.61) TRPV4

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-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 WO disclosed