SCHEMBL20122004

SCHEMBL20122004

COc1ccc(N)cc1C1(C)CC2CC(C)CC(C2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
HSPD1 P10809 1/20 0.36
GOT1 P17174 1/20 0.36
GLRA1 P23415 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 5/20 0.36
CTSD P07339 4/20 0.36
BACE1 P56817 4/20 0.36
BACE2 Q9Y5Z0 4/20 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
SCHEMBL24259971 0.83 RARA (0.36) LMNARARARARBRARGTDP1
SCHEMBL8839064 0.81 LMNA (0.51) LMNARARARARBRARGTDP1
SCHEMBL20121984 0.80 RARA (0.37) LMNARARARARBRARGTDP1
SCHEMBL10171067 0.72 HDAC11 (0.40) LMNARARARARBRARGTDP1
SCHEMBL20122013 0.71 HDAC11 (0.61) LMNARARARARBRARGTDP1
SCHEMBL19647750 0.69 ALDH1A1 (0.47) LMNATDP1MEN1PGRKMT2A
SCHEMBL5328881 0.68 KDM4E (0.34) LMNATDP1MEN1KMT2AALDH1A1
SCHEMBL8520331 0.66 RARA (0.51) LMNARARARARBRARGTDP1
SCHEMBL641031 0.65 RARB (0.67) LMNARARARARBRARGTDP1
SCHEMBL10014917 0.64 RARA (0.52) LMNARARARARBRARGTDP1

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-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed