SCHEMBL8184404

SCHEMBL8184404

COc1ccc(COCC/C(=C/F)CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 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
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 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
SCHEMBL8184408 1.00 APP (0.45) APPTDP1L3MBTL1CA1CA2
SCHEMBL8184411 1.00 APP (0.45) APPTDP1L3MBTL1CA1CA2
SCHEMBL8188328 0.85 TDP1 (0.43) APPTDP1L3MBTL1CA1CA2
SCHEMBL8188326 0.85 TDP1 (0.43) APPTDP1L3MBTL1CA1CA2
SCHEMBL8188331 0.85 TDP1 (0.43) APPTDP1L3MBTL1CA1CA2
SCHEMBL8499580 0.79 IDO1 (0.61) APPTDP1L3MBTL1CA1CA2
SCHEMBL10727459 0.78 HTT (0.47) TDP1L3MBTL1IDO1ALDH1A1KMT2A
SCHEMBL5617927 0.78 HTT (0.47) TDP1L3MBTL1IDO1ALDH1A1KMT2A
SCHEMBL18031454 0.77 F2RL1 (0.50) APPTDP1L3MBTL1CA1CA2
SCHEMBL8176151 0.77 TDP1 (0.47) APPTDP1L3MBTL1CA1CA2

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