SCHEMBL3205701

SCHEMBL3205701

O=C(O)C(CC(F)(F)C(F)(F)C(F)(F)C(F)F)(CC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10661684 0.86 KDM4E (0.33) TSHRKDM4ETDP1
SCHEMBL6259575 0.77 ACLY (0.33) TSHRKDM4ETDP1USP2MAPT
SCHEMBL8615910 0.74 TSHR (0.38) TSHRKDM4ETDP1USP2MAPT
SCHEMBL2544163 0.73 ODC1 (0.33) KDM4ETDP1MAPT
SCHEMBL7893053 0.72
SCHEMBL7513032 0.71 ALDH1A1 (0.32)
SCHEMBL3212802 0.71 TSHR (0.35) TSHRKDM4ETDP1USP2MAPT
SCHEMBL3212789 0.71 TSHR (0.35) TSHRKDM4ETDP1USP2MAPT
SCHEMBL10707604 0.71 KDM4E (0.33) TSHRKDM4ETDP1
SCHEMBL1314472 0.70 THRB (0.50) TSHRKDM4ETDP1USP2MAPT

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-7671232-B2 Method for fabricating a high specific surface area mesoporous alumina INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-03-02 US disclosed