SCHEMBL14590804

SCHEMBL14590804

CCOOC(=O)Cc1ccc(C(C)C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
FKBP1A P62942 1/20 0.36
NLRP3 Q96P20 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 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
SCHEMBL13492093 0.87 CYP4Z1 (0.43) TSHRMEN1KMT2ANLRP3L3MBTL1
SCHEMBL14590803 0.83 ABL1 (0.42) TSHRMEN1KMT2ATDP1L3MBTL1
SCHEMBL14590808 0.83 SMN1; SMN2 (0.43) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL14590809 0.81 ALDH1A1 (0.36) MEN1KMT2ATDP1L3MBTL1ATM
SCHEMBL14590805 0.75 ABL1 (0.45) TSHRTDP1L3MBTL1ATMALDH1A1
SCHEMBL3219477 0.74 YWHAG (0.48) NLRP3L3MBTL1ALDH1A1GAAGFER
SCHEMBL3219080 0.71 ABL1 (0.47) TSHRMEN1KMT2ATDP1L3MBTL1
SCHEMBL11449778 0.70 CYP1A2 (0.43) TDP1PLA2G1BATG4BL3MBTL1THRA
SCHEMBL20768627 0.70 F2 (0.41) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL20768626 0.70 F2 (0.41) TSHRMEN1KMT2AL3MBTL1ALDH1A1

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-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed