SCHEMBL6605780

SCHEMBL6605780

CCOc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.42
PPARG P37231 5/20 0.42
RARG P13631 2/20 0.42
THRB P10828 1/20 0.40
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL29498841 1.00 RXRA (0.42) RXRAPPARGRARGTHRBALDH1A1
SCHEMBL1188857 0.87 THRB (0.36) RXRAPPARGRARGTHRBALDH1A1
SCHEMBL4853420 0.86 RXRA (0.44) RXRAPPARGRARGTHRBALDH1A1
SCHEMBL6473245 0.85 RXRA (0.46) RXRAPPARGRARGTHRBALDH1A1
SCHEMBL6472679 0.83 THRA (0.46) RXRAPPARGRARGTHRBALDH1A1
SCHEMBL6033258 0.83 ALDH1A1 (0.36) RXRAPPARGRARGALDH1A1CYP1A2
SCHEMBL1530388 0.81 THRB (0.39) RXRAPPARGRARGTHRBALDH1A1
SCHEMBL5086413 0.80 LMNA (0.40) RXRAPPARGRARGALDH1A1SMN1; SMN2
SCHEMBL14227116 0.80 RXRA (0.43) RXRAPPARGRARGALDH1A1SMN1; SMN2
SCHEMBL3770921 0.79 CA2 (0.42) RXRAPPARGRARGALDH1A1HTT

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
EP-3911309-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER Board Of Trustees Of Michigan State University (US) 2021-11-24 EP disclosed
WO-2020150668-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-07-23 WO disclosed
EP-1161410-B1 RETINOID ANTAGONISTS AND USE THEREOF BASILEA PHARMACEUTICA AG (CH) 2004-05-12 EP disclosed
EP-1161410-A1 RETINOID ANTAGONISTS AND USE THEREOF Basilea Pharmaceutica AG (CH) 2001-12-12 EP disclosed
US-6326397-B1 OSTEOPOROSIS HOFFMAN-LA ROCHE INC. 2001-12-04 US disclosed
WO-2000053562-A1 RETINOID ANTAGONISTS AND USE THEREOF BASILEA PHARMACEUTICA AG (CH) 2000-09-14 WO disclosed