SCHEMBL6505491

SCHEMBL6505491

CCCCOc1ccc(-c2ccc(F)cc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
S1PR1 P21453 1/20 0.47
BACE1 P56817 1/20 0.46
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK2A1 P68400 2/20 0.45
PPARA Q07869 8/20 0.45
PPARD Q03181 7/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 2/20 0.44

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
SCHEMBL9433103 0.92 SMN1; SMN2 (0.58) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL10979533 0.86 L3MBTL1 (0.54) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL10983103 0.84 SMN1; SMN2 (0.58) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL9399929 0.83 THRA (0.53) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL9398890 0.83 THRA (0.53) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL10974737 0.83 SMN1; SMN2 (0.61) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL10980032 0.83 SMN1; SMN2 (0.61) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL9399173 0.82 SMN1; SMN2 (0.59) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL10980962 0.82 SMN1; SMN2 (0.59) GLASMN1; SMN2S1PR1BACE1ATM
SCHEMBL10979485 0.81 MAPT (0.52) GLASMN1; SMN2S1PR1BACE1ATM

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
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed