SCHEMBL8188331

SCHEMBL8188331

COc1ccc(COCCC(=CCl)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
APP P05067 7/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
CHRM3 P20309 2/20 0.39
FFAR1 O14842 1/20 0.38
CALM1 P0DP23 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
GBA1 P04062 1/20 0.37
UGCG Q16739 1/20 0.37
GBA2 Q9HCG7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL8188326 1.00 TDP1 (0.43) TDP1L3MBTL1CA1CA2APP
SCHEMBL8188328 1.00 TDP1 (0.43) TDP1L3MBTL1CA1CA2APP
SCHEMBL8184404 0.85 APP (0.45) TDP1L3MBTL1CA1CA2APP
SCHEMBL8184408 0.85 APP (0.45) TDP1L3MBTL1CA1CA2APP
SCHEMBL8184411 0.85 APP (0.45) TDP1L3MBTL1CA1CA2APP
SCHEMBL8184477 0.79 L3MBTL1 (0.36) TDP1L3MBTL1CA1CA2APP
SCHEMBL8184474 0.79 L3MBTL1 (0.36) TDP1L3MBTL1CA1CA2APP
SCHEMBL8184472 0.79 L3MBTL1 (0.36) TDP1L3MBTL1CA1CA2APP
SCHEMBL18031454 0.77 F2RL1 (0.50) TDP1L3MBTL1CA1CA2APP
SCHEMBL8176151 0.77 TDP1 (0.47) TDP1L3MBTL1CA1CA2APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017923-A Carbo-acyclic nucleoside derivatives as antiviral and antineoplastic agents HOECHST MARION ROUSSEL, INC. (US) 2000-01-25 US disclosed
EP-0705264-B1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMA INC (US) 1999-04-07 EP disclosed
WO-1995000515-A1 CARBO-ACYCLIC NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AND ANTINEOPLASTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed