SCHEMBL8616759

SCHEMBL8616759

CC1(C)CCN(c2ccccc2)c2cc(C#C[Si](C)(C)C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.42
RARG P13631 7/20 0.42
RARA P10276 5/20 0.42
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
HSD11B1 P28845 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP26A1 O43174 1/20 0.34
CRABP2 P29373 1/20 0.34
GRM5 P41594 5/20 0.34
PIK3CA P42336 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33

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
SCHEMBL6575676 0.89 RARB (0.39) RARBRARGRARAGABRA1GABRG2
SCHEMBL6578008 0.87 RARB (0.51) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6578033 0.82 RARA (0.40) RARBRARGRARAGABRA1GABRG2
SCHEMBL6574370 0.80 RARB (0.67) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6574407 0.75 HSD11B1 (0.42) RARBRARGRARAGABRA1HSD11B1
SCHEMBL8614817 0.74 RARB (0.52) RARBRARGRARACYP3A4CYP26A1
SCHEMBL3300659 0.72 RARB (0.55) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6578025 0.71 RARB (0.65) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6574397 0.71 RARA (0.37) RARBRARGRARA
SCHEMBL20061936 0.71 HSD11B1 (0.38) RARBRARGHSD11B1CYP3A4RXRA

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-5739338-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS, VISION DEFECTS, VIRICIDES, IMMUNOSUPPRESSANTS ALLERGAN (US) 1998-04-14 US disclosed