SCHEMBL20175352

SCHEMBL20175352

CC(C)COc1ccc(CCCCI)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
ADRB2 P07550 3/20 0.41
S1PR1 P21453 3/20 0.41
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR2 O95136 1/20 0.40
S1PR3 Q99500 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
XBP1 P17861 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 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
SCHEMBL20780568 0.89 ACACB (0.50) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL12040556 0.83 MAPT (0.57) MAPTMEN1ALOX12KMT2APOLB
SCHEMBL10284902 0.82 S1PR1 (0.49) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL8047271 0.80 ACACB (0.52) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL8048419 0.80 MAPT (0.49) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL19771016 0.79 ACACB (0.48) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL20173390 0.77 S1PR1 (0.52) MAPTMEN1KMT2ALMNAS1PR1
SCHEMBL20173393 0.77 S1PR1 (0.52) MAPTMEN1KMT2ALMNAS1PR1
SCHEMBL123415 0.77 MAPT (0.55) ACACBMAPTMEN1ALOX12KMT2A
SCHEMBL20739975 0.77 ACACB (0.49) ACACBMAPTMEN1ALOX12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10636975-B2 Organic semiconductor element, compound, organic semiconductor composition, and method of manufacturing organic semiconductor film FUJIFILM CORPORATION (JP) 2020-04-28 US disclosed
US-20180145259-A1 ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-05-24 US disclosed