SCHEMBL9970976

SCHEMBL9970976

CCOC(=O)CC1(C(=O)O)Cc2cc(F)ccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
ALDH1A1 P00352 3/20 0.36
DGAT1 O75907 1/20 0.36
BRD4 O60885 1/20 0.34
CXCR5 P32302 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIN1 Q13526 1/20 0.34
PIN4 Q9Y237 1/20 0.34
OPRM1 P35372 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL9937345 0.91 OPRM1 (0.39) MAPK14ALDH1A1BRD4MEN1LMNA
SCHEMBL8871499 0.80 OPRM1 (0.40) MAPK14ALDH1A1BRD4MEN1LMNA
SCHEMBL9363341 0.76 OPRM1 (0.37) MAPK14ALDH1A1BRD4MEN1LMNA
SCHEMBL1270456 0.76 TGM2 (0.39) DGAT1CXCR5MAPT
SCHEMBL7737588 0.73 ALDH1A1 (0.44) ALDH1A1BRD4MEN1LMNACYP1A2
SCHEMBL28615338 0.73 SMN1; SMN2 (0.39) MAPK14ALDH1A1LMNAMAPTPOLB
SCHEMBL16153701 0.71 ALDH1A1 (0.41) ALDH1A1BRD4MEN1CYP1A2MAPT
SCHEMBL9359209 0.71 BCHE (0.42) ALDH1A1LMNAMAPTNPSR1
SCHEMBL14638776 0.71 LMNA (0.46) ALDH1A1MEN1LMNACYP1A2MAPT
SCHEMBL10908106 0.69 CA1 (0.41) ALDH1A1

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
WO-2012080115-A1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 WO disclosed