SCHEMBL9723713

SCHEMBL9723713

CCCCC(C)Cc1ccc(-c2ccc(C(=O)Oc3ccc(CC(C)CC)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.43
THRB P10828 2/20 0.43
TP53 P04637 1/20 0.42
PRSS1 P07477 3/20 0.42
ACR P10323 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TMPRSS15 P98073 2/20 0.40
RARB P10826 3/20 0.39

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
SCHEMBL20594558 0.91 TP53 (0.48) MAPTSMN1; SMN2KMT2ATHRBTP53
SCHEMBL9513316 0.91 TP53 (0.48) MAPTSMN1; SMN2KMT2ATHRBTP53
SCHEMBL8955924 0.90 RARB (0.51) MAPTSMN1; SMN2KMT2ATHRBTP53
SCHEMBL26601845 0.89 MAPT (0.45) MAPTSMN1; SMN2KMT2ATHRBTP53
SCHEMBL742165 0.89 MAPT (0.55) MAPTSMN1; SMN2KMT2ATHRBNPC1
SCHEMBL8380188 0.89 MAPT (0.45) MAPTSMN1; SMN2KMT2ATHRBTP53
SCHEMBL11547790 0.89 MAPT (0.55) MAPTSMN1; SMN2KMT2ATHRBNPC1
SCHEMBL20594587 0.89 MAPT (0.55) MAPTSMN1; SMN2KMT2ATHRBNPC1
SCHEMBL18328861 0.89 TP53 (0.49) MAPTSMN1; SMN2KMT2ATHRBTP53
SCHEMBL5065172 0.88 MAPT (0.54) MAPTSMN1; SMN2KMT2ATHRBNPC1

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-5114613-A High-speed responsive, stable films; controlling the mesomorphic state and temperature CANON KABUSHIKI KAISHA (JP) 1992-05-19 US disclosed