SCHEMBL14477995

SCHEMBL14477995

Cc1cc(O)c(C(C)C)cc1C(c1ccc2cc(C(c3cc(C(C)C)c(O)cc3C)c3cc(C(C)C)c(OCC(=O)OC(C)(C)C)cc3C)ccc2c1)c1cc(C(C)C)c(O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.38
THRB P10828 5/20 0.38
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 1/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL14477993 0.85 THRA (0.34) THRATHRBMAPTGAALMNA
SCHEMBL12415068 0.78 LMNA (0.47) THRBMAPTGAALMNACYP2C9
SCHEMBL3256457 0.76 CNR1 (0.43) MAPTGAAHPGDPOLBCYP2C9
SCHEMBL14477991 0.74 GAA (0.36) THRATHRBMAPTGAALMNA
SCHEMBL14477992 0.74 GAA (0.36) THRATHRBMAPTGAALMNA
SCHEMBL14477996 0.74 GAA (0.36) THRATHRBMAPTGAALMNA
SCHEMBL14477987 0.71 CNR1 (0.35) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL7121155 0.71 THRA (0.55) THRATHRBMAPTLMNA
SCHEMBL20718658 0.71 MAPT (0.48) MAPTLMNAHPGDPOLBCYP2C9
SCHEMBL14478006 0.71 CNR1 (0.33) HPGDPOLBCNR1KDM4EALDH1A1

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-20130004896-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION SPECIFICATION ECHIGO MASATOSHI (JP) 2013-01-03 US disclosed