SCHEMBL8558866

SCHEMBL8558866

CC1(C)CCC(C)(C)c2cc(N(Cc3ccccc3)C(=O)CN)ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.48
RXRB P28702 10/20 0.48
RXRG P48443 10/20 0.48
CYP26B1 Q9NR63 2/20 0.45
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
PAX8 Q06710 2/20 0.44
JAK2 O60674 1/20 0.44
CYP26A1 O43174 2/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RNF4 P78317 1/20 0.42
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL8556502 0.84 RXRA (0.48) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8555859 0.82 RXRA (0.44) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8675649 0.77 RXRA (0.62) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8556010 0.76 RXRA (0.49) RXRARXRBRXRGCYP26B1RARB
SCHEMBL3934121 0.76 RARB (0.58) RXRARXRBRXRGCYP26B1NPC1
SCHEMBL8556269 0.76 CYP26B1 (0.46) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL9471518 0.76 NPC1 (0.69) NPC1ALDH1A1HTTRAB9APAX8
SCHEMBL8560346 0.75 RXRA (0.46) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL8093051 0.75 RXRA (0.64) RXRARXRBRXRGCYP26A1RARB
SCHEMBL8102771 0.74 ALDH1A1 (0.51) RXRARXRBRXRGCYP26B1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US claimed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed