SCHEMBL8940512

SCHEMBL8940512

C=CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC[C@@H](C)CC)cc3)cc2Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
PPARG P37231 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8940516 1.00 THRA (0.40) THRATHRBMAPTALDH1A1L3MBTL1
SCHEMBL8940477 0.97 THRA (0.40) THRATHRBMAPTALDH1A1L3MBTL1
SCHEMBL8940474 0.97 THRA (0.40) THRATHRBMAPTALDH1A1L3MBTL1
SCHEMBL8940313 0.96 NPC1 (0.41) THRATHRBMAPTALDH1A1L3MBTL1
SCHEMBL8940309 0.96 NPC1 (0.41) THRATHRBMAPTALDH1A1L3MBTL1
SCHEMBL9878306 0.85 LMNA (0.50) MAPTALDH1A1L3MBTL1NPC1LMNA
SCHEMBL9878424 0.85 LMNA (0.50) MAPTALDH1A1L3MBTL1NPC1LMNA
SCHEMBL9878284 0.85 LMNA (0.50) MAPTALDH1A1L3MBTL1NPC1LMNA
SCHEMBL9878541 0.85 LMNA (0.50) MAPTALDH1A1L3MBTL1NPC1LMNA
SCHEMBL9878856 0.85 LMNA (0.50) MAPTALDH1A1L3MBTL1NPC1LMNA

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-5563230-A POLYETHERSILOXANES NATIONAL SCIENCE COUNCIL (TW) 1996-10-08 US disclosed