SCHEMBL16708588

SCHEMBL16708588

C=C1C(=O)C(c2ccccc2)C=C1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2B P41595 1/20 0.36
CACNA1D Q01668 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
MMP2 P08253 2/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CYP19A1 P11511 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GFER P55789 1/20 0.31
BRD4 O60885 2/20 0.30

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
SCHEMBL8436669 0.64 ALDH1A1 (0.37) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL25484044 0.63 CACNA1D (0.35) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL2966774 0.62 ALDH1A1 (0.35) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL27499469 0.62 CYP19A1 (0.34) MAPTCYP1A2MEN1KMT2ACYP19A1
SCHEMBL6756342 0.62 TSHR (0.40) LMNACYP1A2CYP3A4ALDH1A1
SCHEMBL7737418 0.60 CA2 (0.37) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL13223066 0.59 USP2 (0.40) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL21954834 0.57 MAPT (0.57) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL5116946 0.57 LMNA (0.47) MAPTLMNATP53CYP1A2CYP3A4
SCHEMBL23435303 0.56 ALDH1A1 (0.40) CACNA1DALDH1A1

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-20150129861-A1 ORGANIC MATERIAL FOR DEPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, DEPOSITION METHOD, AND MANUFACTURING METHOD FOR ORGANIC PHOTOELECTRONIC ONVERSION ELEMENT OBTAINED USING THE SAME FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed