SCHEMBL9598271

SCHEMBL9598271

Cc1cc[c]c(OC2CCCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.35
PTPN1 P18031 2/20 0.33
DHFR P00374 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HSD11B1 P28845 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SYK P43405 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7366055 0.83 DHFR (0.40) PDE4BPTPN1DHFRKDM4CHSD11B1
SCHEMBL9599345 0.82 KDM4C (0.34) PDE4BPTPN1DHFRKDM4CHSD11B1
SCHEMBL4722294 0.78 KDM4C (0.36) DHFRKDM4CMEN1KMT2A
SCHEMBL28641211 0.78 MEN1 (0.30) PDE4BDHFRMEN1KMT2A
SCHEMBL16467668 0.75 SYK (0.33) SYK
SCHEMBL29073288 0.74 HSD11B1 (0.33) PDE4BHSD11B1L3MBTL1
SCHEMBL7772772 0.74 RAB9A (0.44) PDE4BPTPN1NPC1RAB9ASYK
SCHEMBL7233566 0.74 DHFR (0.48) DHFRKDM4CHSD11B1MEN1KMT2A
SCHEMBL818901 0.74 RAB9A (0.44) PDE4BPTPN1NPC1RAB9ASYK
SCHEMBL4724373 0.73 GAA (0.33) PDE4BDHFRKDM4C

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-5190958-A Fungicides SHELL RESEARCH LIMITED (GB) 1993-03-02 US disclosed