SCHEMBL7576444

SCHEMBL7576444

C(=CC1CCCc2ccccc21)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
IDO1 P14902 2/20 0.44
HTT P42858 1/20 0.40
KDM1A O60341 2/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7576452 1.00 SMN1; SMN2 (0.51) SMN1; SMN2IDO1HTTKDM1ARAB9A
SCHEMBL8893702 0.79 IDO1 (0.49) SMN1; SMN2IDO1HTTMEN1KMT2A
SCHEMBL6723016 0.75 IDO1 (0.49) IDO1HTT
SCHEMBL1567118 0.75 IDO1 (0.49) IDO1HTT
SCHEMBL9159890 0.75 IDO1 (0.49) SMN1; SMN2IDO1HTTMEN1KMT2A
SCHEMBL782544 0.75 IDO1 (0.49) SMN1; SMN2IDO1HTTMEN1KMT2A
SCHEMBL8699708 0.75 IDO1 (0.49) SMN1; SMN2IDO1HTTMEN1KMT2A
SCHEMBL29663637 0.75 IDO1 (0.49) SMN1; SMN2IDO1HTTMEN1KMT2A
SCHEMBL4948903 0.73 SMN1; SMN2 (0.65) SMN1; SMN2HTTMEN1KMT2A
SCHEMBL10643837 0.73 ALDH1A1 (0.43) SMN1; SMN2IDO1HTTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020143062-A1 Method to incorporate N-(4-hydroxyphenyl) retinamide in liposomes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-10-03 US disclosed
US-5055622-A For treating neoplasms and dermatoses HOFFMANN-LA ROCHE INC. (US) 1991-10-08 US disclosed
US-5030764-A Antitumor agents; treatment of skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5001276-A Novel tetrahydronaphthalene and indane derivatives HOFFMANN-LA ROCHE INC. (US) 1991-03-19 US disclosed
US-4990703-A Novel tetrahydronaphthalene and indane derivatives HOFFMANN-LA ROCHE INC. (US) 1991-02-05 US disclosed
US-4935560-A ANTITUMOR AGENTS; SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-06-19 US disclosed