SCHEMBL18998301

SCHEMBL18998301

Cc1cc(C)c(O)c(C(c2ncc[nH]2)c2cc(C)cc(C)c2O)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
F2RL1 P55085 12/20 0.36
SMPD3 Q9NY59 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33

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
SCHEMBL697375 0.73 ADRA2A (0.42) ALDH1A1F2RL1NISCHSMN1; SMN2ADRA2A
SCHEMBL696820 0.73 ADRA2A (0.46) ALDH1A1F2RL1NISCHSMN1; SMN2ADRA2A
SCHEMBL14171312 0.70 CSNK2A2 (0.36) ALDH1A1KDM4ELMNAMAPTF2RL1
SCHEMBL2466798 0.69 NISCH (0.37) ALDH1A1F2RL1NISCHSMN1; SMN2ADRA2A
SCHEMBL14272966 0.69 SLC6A3 (0.43) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL14518220 0.69 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL5353787 0.69 ALDH1A1 (0.43) ALDH1A1F2RL1NISCHSMN1; SMN2ADRA2A
SCHEMBL11954781 0.69 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL16812634 0.69 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL14272974 0.68 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9882137-B2 Organic semiconductor composition, organic thin film transistor, electronic paper, and display device FUJIFILM CORPORATION (JP) 2018-01-30 US disclosed
US-9882137-B2 Organic semiconductor composition, organic thin film transistor, electronic paper, and display device FUJIFILM CORPORATION (JP) 2018-01-30 US disclosed
US-20170179387-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed
US-20170179387-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed