SCHEMBL18682249

SCHEMBL18682249

CCCCCCOc1ccc(C(=O)OCCCCO)cc1F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.59
THRB P10828 1/20 0.59
ESR1 P03372 3/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMPD1 P17405 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL18682250 1.00 THRA (0.59) THRATHRBESR1NPC1MAPT
SCHEMBL18682244 0.97 THRA (0.56) THRATHRBESR1NPC1MAPT
SCHEMBL18682245 0.96 THRA (0.54) THRATHRBESR1NPC1MAPT
SCHEMBL14926459 0.90 THRA (0.59) THRATHRBESR1NPC1MAPT
SCHEMBL15927334 0.90 THRA (0.59) THRATHRBESR1NPC1MAPT
SCHEMBL14926454 0.90 THRA (0.59) THRATHRBESR1NPC1MAPT
SCHEMBL15762952 0.90 THRA (0.59) THRATHRBESR1NPC1MAPT
SCHEMBL14926447 0.90 THRA (0.59) THRATHRBESR1NPC1MAPT
SCHEMBL14926445 0.89 THRA (0.57) THRATHRBESR1NPC1MAPT
SCHEMBL14926441 0.88 THRA (0.59) THRATHRBESR1NPC1MAPT

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-20170088777-A1 LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2017-03-30 US disclosed