SCHEMBL24259971

SCHEMBL24259971

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 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
CNR2 P34972 2/20 0.36
PKM P14618 1/20 0.36
HDAC11 Q96DB2 2/20 0.34
HDAC2 Q92769 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 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
SCHEMBL20122004 0.83 LMNA (0.36) RARARARBRARGLMNAMEN1
SCHEMBL565321 0.81 RARA (0.51) RARARARBRARGLMNAMEN1
SCHEMBL20121984 0.80 RARA (0.37) RARARARBRARGLMNAMEN1
SCHEMBL8796037 0.72 RARA (0.42) RARARARBRARGLMNAMEN1
SCHEMBL20122013 0.71 HDAC11 (0.61) RARARARBRARGLMNAMEN1
SCHEMBL20121991 0.69 HDAC11 (0.48) RARARARBRARGLMNATDP1
SCHEMBL10171067 0.69 HDAC11 (0.40) RARARARBRARGLMNAMEN1
SCHEMBL566710 0.69 HDAC11 (0.41) RARARARBRARGLMNAMEN1
SCHEMBL8520331 0.66 RARA (0.51) RARARARBRARGLMNAMEN1
SCHEMBL641031 0.65 RARB (0.67) RARARARBRARGLMNAMEN1

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
EP-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed