SCHEMBL14015296

SCHEMBL14015296

CCC(C)c1cccc2c(OCOC)cccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1B P28222 2/20 0.34
NR2E1 Q9Y466 3/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F2RL3 Q96RI0 1/20 0.32

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
SCHEMBL14118329 0.85 HTR1B (0.48) TSHRKDM4EMEN1CYP1A2CYP2C9
SCHEMBL14015293 0.83 TSHR (0.44) TSHRL3MBTL1KDM4EATMNISCH
SCHEMBL15033908 0.83 L3MBTL1 (0.45) TSHRL3MBTL1KDM4EATMHTT
SCHEMBL12891587 0.80 IDO1 (0.47) TSHRL3MBTL1KDM4EATMNISCH
SCHEMBL14461713 0.79 MAPT (0.50) TSHRL3MBTL1ATMNISCHALDH1A1
SCHEMBL10182614 0.77 TSHR (0.39) TSHRL3MBTL1KDM4EATMNISCH
SCHEMBL10182868 0.76 TSHR (0.41) TSHRL3MBTL1KDM4EATMNISCH
SCHEMBL1446331 0.74 KMT2A (0.51) L3MBTL1NISCHMEN1CYP1A2CYP3A4
SCHEMBL8973829 0.73 L3MBTL1 (0.40) TSHRL3MBTL1KDM4EATMMEN1
SCHEMBL12454829 0.73 CYP1A2 (0.50) MEN1CYP1A2KMT2AHTR1BPTPN1

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-7432034-B2 Negative resist composition FUJIFILM CORPORATION (JP) 2008-10-07 US disclosed