SCHEMBL29960686

SCHEMBL29960686

C=Cc1ccccc1Oc1cccc(C(=O)NOC(=O)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
MAPT P10636 2/20 0.39
GCK P35557 5/20 0.39
PYGM P11217 1/20 0.39
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ELANE P08246 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
KLK1 P06870 1/20 0.36
PRSS1 P07477 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL29960482 0.78 L3MBTL1 (0.49) MAPTPYGMLMNANPC1RAB9A
SCHEMBL29960529 0.77 ALDH1A1 (0.55) MAPTLMNANPC1RAB9AGAA
SCHEMBL29960804 0.77 AKR1C3 (0.61) HDAC8LMNANPC1RAB9AGAA
SCHEMBL29960046 0.76 LMNA (0.48) HDAC8GCKPYGMLMNANPC1
SCHEMBL28010661 0.72 POLB (0.67) HDAC8MAPTLMNANPC1RAB9A
SCHEMBL141456 0.69 ELANE (0.57) MAPTLMNAELANEKMT2AALDH1A1
SCHEMBL20240298 0.67 LMNA (0.55) MAPTLMNANPC1RAB9AGAA
SCHEMBL29960461 0.67 LMNA (0.55) MAPTLMNANPC1RAB9AGAA
SCHEMBL28734846 0.66 ALDH1A1 (0.56) MAPTLMNANPC1RAB9AHPGD
SCHEMBL29507722 0.66 ALDH1A1 (0.56) MAPTLMNANPC1RAB9AHPGD

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-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed