SCHEMBL22490430

SCHEMBL22490430

COc1ccc(/C=C/C(=O)Oc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
GPR35 Q9HC97 1/20 0.53
HTT P42858 1/20 0.52
F3 P13726 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL10528691 0.86 KMT2A (0.58) TRPM8MAPTMEN1KMT2ARAB9A
SCHEMBL10528689 0.86 KMT2A (0.58) TRPM8MAPTMEN1KMT2ARAB9A
SCHEMBL2647930 0.86 MEN1 (0.71) TRPM8MAPTMEN1KMT2ARAB9A
SCHEMBL2647932 0.86 MEN1 (0.71) TRPM8MAPTMEN1KMT2ARAB9A
SCHEMBL12587262 0.85 MAPT (0.51) TRPM8MAPTMEN1KMT2ARAB9A
SCHEMBL2219220 0.85 CA12 (0.57) TRPM8MAPTMEN1KMT2ARAB9A
SCHEMBL2219218 0.85 CA12 (0.57) TRPM8MAPTMEN1KMT2ARAB9A
SCHEMBL9709523 0.83 KMT2A (0.48) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL18121572 0.83 KMT2A (0.76) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL26690544 0.82 RAB9A (0.50) TRPM8MAPTMEN1KMT2ARAB9A

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
WO-2020196698-A1 POLYMER COMPOSITION, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT, AND METHOD FOR PRODUCING SUBSTRATE HAVING LIQUID CRYSTAL ALIGNMENT FILM 日産化学株式会社 2020-10-01 WO disclosed