SCHEMBL10671815

SCHEMBL10671815

CC(O)c1ccccc1C(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.39
TGFBR1 P36897 1/20 0.39
P2RX3 P56373 1/20 0.38
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CREBBP Q92793 2/20 0.36
EP300 Q09472 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL29750678 0.83 NPC1 (0.51) SLC6A3TGFBR1P2RX3GSTP1GSTM2
SCHEMBL24199697 0.81 TDP1 (0.57) TDP1SMN1; SMN2RAB9A
SCHEMBL2436089 0.78 P2RX3 (0.41) SLC6A3TGFBR1P2RX3GSTP1GSTM2
SCHEMBL4082004 0.77 GSTP1 (0.49) SLC6A3TGFBR1P2RX3GSTP1GSTM2
SCHEMBL30423559 0.76 P2RX7 (0.50) TGFBR1P2RX3GSTP1GSTM2CCNA2
SCHEMBL10671807 0.76 P2RX3 (0.40) SLC6A3TGFBR1P2RX3GSTP1GSTM2
SCHEMBL29633838 0.73 SLC6A3 (0.38) SLC6A3TGFBR1P2RX3GSTP1GSTM2
SCHEMBL28741551 0.73 P2RX3 (0.39) SLC6A3TGFBR1P2RX3GSTP1GSTM2
SCHEMBL6918851 0.71 GSTP1 (0.46) SLC6A3TGFBR1P2RX3GSTP1GSTM2
SCHEMBL2407455 0.71 GSTP1 (0.46) SLC6A3TGFBR1P2RX3GSTP1GSTM2

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-4757078-A Antiinflammatory agents, psoriasis E. R. SQUIBB & SONS, INC. (US) 1988-07-12 US disclosed