SCHEMBL28751610

SCHEMBL28751610

COc1cc(C2CCC(c3sc(NC(=O)c4cc5cc(C)cc(C)c5n4COC(C)=O)nc3C)CC2)c(OC)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
STAT3 P40763 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 3/20 0.31
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
LCK P06239 1/20 0.31
ADAM17 P78536 1/20 0.31
PI4KB Q9UBF8 1/20 0.30
CASP1 P29466 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
SCHEMBL27580962 0.93 ALDH1A1 (0.33) TRPV4ALDH1A1HPGDSTAT3NPC1
SCHEMBL27598580 0.89 ALDH1A1 (0.31) ALDH1A1HPGDSTAT3NPC1RAB9A
SCHEMBL27598408 0.87 MAPT (0.35) TRPV4HPGDNPC1RAB9AKMT2A
SCHEMBL27598407 0.83 TRPV4 (0.32) TRPV4
SCHEMBL28751612 0.83 ALDH1A1 (0.34) TRPV4ALDH1A1HPGDSTAT3NPC1
SCHEMBL27598409 0.82 MAPT (0.33) TRPV4ALDH1A1HPGDSTAT3NPC1
SCHEMBL27581118 0.75 RXFP1 (0.35) TRPV4ALDH1A1HPGDSTAT3NPC1
SCHEMBL27598402 0.73 MEN1 (0.39) TRPV4ALDH1A1HPGDSTAT3KMT2A
SCHEMBL27581054 0.72 TRPV4 (0.34) TRPV4KMT2AMAPTTP53
SCHEMBL27580984 0.70 TRPV4 (0.35) TRPV4ALDH1A1HPGDNPC1RAB9A

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
CN-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN disclosed