SCHEMBL14435157

SCHEMBL14435157

C=CCCCCCCCCCCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
HDAC1 Q13547 2/20 0.33
TRPA1 O75762 2/20 0.33
HDAC4 P56524 1/20 0.33
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL23766314 1.00 TSHR (0.41) TSHRALDH1A1TDP1USP2HPGD
SCHEMBL31181818 1.00 TSHR (0.41) TSHRALDH1A1TDP1USP2HPGD
SCHEMBL24384254 0.80 TSHR (0.30) TSHR
SCHEMBL1468864 0.74 LPAR3 (0.38) TSHRALDH1A1LMNAABCC4MAPT
SCHEMBL10764275 0.73 SLC6A2 (0.31)
SCHEMBL3418214 0.73 TSHR (0.31) TSHR
SCHEMBL12664747 0.71 MAPT (0.48) TSHRALDH1A1USP2LMNAABCC4
SCHEMBL13258720 0.71 SLC6A2 (0.33)
SCHEMBL18187333 0.71 TSHR (0.69) TSHRALDH1A1TDP1USP2HPGD
SCHEMBL10772647 0.71 TSHR (0.69) TSHRALDH1A1TDP1USP2HPGD

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-2007088187-A1 NOVEL SILANE COMPOUNDS AND USE THEREOF IN ORDER TO FUNCTIONALISE SOLID MEDIA AND IMMOBILISE BIOLOGICAL MOLECULES ON SAID MEDIA COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-08-09 WO disclosed