SCHEMBL8612271

SCHEMBL8612271

Cc1cc(C=O)cc(C)c1OCCCCCOc1c(C)cc(C=O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8035224 0.93 THRA (0.51) SRCTHRATHRBMEN1KMT2A
SCHEMBL5351709 0.92 SRC (0.53) SRCMEN1KMT2AALDH1A1KDM4E
SCHEMBL7679676 0.91 SRC (0.46) SRCTHRATHRBMEN1KMT2A
SCHEMBL145729 0.89 SRC (0.49) SRCTHRATHRBMEN1KMT2A
SCHEMBL5144244 0.89 SRC (0.47) SRCTHRATHRBMEN1KMT2A
SCHEMBL378363 0.87 SRC (0.50) SRCTHRATHRBMEN1KMT2A
SCHEMBL7164671 0.85 TSHR (0.45) SRCTHRATHRBMEN1KMT2A
SCHEMBL2651217 0.85 SRC (0.47) SRCTHRATHRBMEN1KMT2A
SCHEMBL347037 0.85 SRC (0.51) SRCMEN1KMT2AALDH1A1MAPT
SCHEMBL147201 0.85 SRC (0.51) SRCTHRATHRBMEN1KMT2A

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-5731599-A EFFICIENCY, POLYETHERS SAMSUNG ELECTRONICS CO., LTD. (KR) 1998-03-24 US disclosed