SCHEMBL20121984

SCHEMBL20121984

COc1ccc(B(O)O)cc1C1(C)CC2CC(C)CC(C2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.37
RARB P10826 3/20 0.37
RARG P13631 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
HSPD1 P10809 1/20 0.37
GOT1 P17174 1/20 0.37
GLRA1 P23415 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 2/20 0.36
PKM P14618 1/20 0.36
HDAC11 Q96DB2 2/20 0.35
HDAC2 Q92769 1/20 0.35
CTSD P07339 5/20 0.34
BACE1 P56817 5/20 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
SCHEMBL404823 0.82 RARA (0.51) RARARARBRARGMEN1KMT2A
SCHEMBL31482681 0.82 RARA (0.51) RARARARBRARGMEN1KMT2A
SCHEMBL24259971 0.80 RARA (0.36) RARARARBRARGMEN1KMT2A
SCHEMBL20122004 0.80 LMNA (0.36) RARARARBRARGMEN1KMT2A
SCHEMBL5827948 0.75 RARA (0.50) RARARARBRARGMEN1KMT2A
SCHEMBL3314599 0.74 KMT2A (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL13687830 0.72 RARB (0.67) RARARARBRARGMEN1KMT2A
SCHEMBL20122013 0.71 HDAC11 (0.61) RARARARBRARGMEN1KMT2A
SCHEMBL10014913 0.70 RARA (0.49) RARARARBRARGMEN1KMT2A
SCHEMBL5828879 0.69 RARA (0.44) RARARARBRARGMEN1KMT2A

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