SCHEMBL8008640

SCHEMBL8008640

CCCOc1c(C(C)(C)C)cc(C(C)=O)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.44
PPARG P37231 4/20 0.44
RARG P13631 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
ESRRA P11474 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PTGS1 P23219 1/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL8000062 0.92 RXRA (0.46) RXRAPPARGRARGLMNAESRRA
SCHEMBL8000079 0.90 THRA (0.47) RXRAPPARGTHRATHRBL3MBTL1
SCHEMBL8010874 0.89 THRA (0.49) RXRATHRATHRB
SCHEMBL8014571 0.89 THRA (0.49) RXRATHRATHRB
SCHEMBL8439090 0.89 THRA (0.49) RXRATHRATHRB
SCHEMBL8159583 0.86 CREBBP (0.42) RXRAPPARGRARGSMN1; SMN2KMT2A
SCHEMBL14204866 0.83 ESRRA (0.40) SMN1; SMN2LMNARECQLESRRAL3MBTL1
SCHEMBL4731276 0.80 ESRRA (0.38) RARGLMNARECQLESRRAPTGS1
SCHEMBL7331449 0.78 VCAM1 (0.41) KMT2AMEN1LMNAESRRA
SCHEMBL1190498 0.78 TSHR (0.53) SMN1; SMN2KMT2AALDH1A1MEN1LMNA

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
WO-2000026172-A1 TRIENOIC RETINOID COMPOUNDS AS RETINOIC ACID RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-05-11 WO disclosed
US-5998654-A SKIN DISORDERS; ANTICANCER AGENTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-12-07 US disclosed