SCHEMBL9134337

SCHEMBL9134337

O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.64
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
PDK2 Q15119 1/20 0.41
CES2 O00748 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL19283612 0.84 HPD (0.47) HPDMAPTKDM4EPOLBPDK2
SCHEMBL9711517 0.83 HPD (0.46) HPDKDM4EPDK2CES2
SCHEMBL10191434 0.81 HPGD (0.50) HPD
SCHEMBL7344969 0.80 TSHR (0.50) HPDMAPTKDM4E
Nitisinone SCHEMBL8423048 0.80 HPD (0.75) HPDTHRBLMNA
SCHEMBL15996621 0.80 HPD (0.79) HPDMAPTKDM4ECES2
Nitisinone SCHEMBL15537279 0.79 HPD (1.00) HPDMAPTPOLBLMNA
Nitisinone SCHEMBL338795 0.79 HPD (1.00) HPDMAPTPOLBLMNA
Nitisinone SCHEMBL29372670 0.79 HPD (1.00) HPDMAPTPOLBLMNA
SCHEMBL15133257 0.78 HPD (0.42) HPD

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-5416061-A CONTROLLING THE GROWTH OF WEEDS RHONE-POULENC AGRICULTURE LTD. (GB) 1995-05-16 US disclosed