SCHEMBL20173386

SCHEMBL20173386

CCCCCCCCCCC(CCCCCCCC)COc1ccc(CCCCCO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
CYP3A4 P08684 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP1 P29466 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
SLCO1B1 Q9Y6L6 1/20 0.57
S1PR1 P21453 4/20 0.55
S1PR4 O95977 3/20 0.54
S1PR5 Q9H228 2/20 0.54
S1PR2 O95136 2/20 0.54
S1PR3 Q99500 2/20 0.54
SPHK1 Q9NYA1 2/20 0.49
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
ESR1 P03372 2/20 0.45

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
SCHEMBL20173393 0.86 S1PR1 (0.52) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL20173390 0.86 S1PR1 (0.52) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL10427911 0.85 S1PR1 (0.47) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL22579950 0.83 HTR2A (0.56) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL23266202 0.82 MEN1 (0.75) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL28835278 0.82 MEN1 (0.75) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL3948759 0.82 MEN1 (0.75) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL6219270 0.82 MEN1 (0.75) ALDH1A1LMNACYP3A4MEN1KMT2A
Hydrochloric Acid SCHEMBL8504740 0.81 MEN1 (0.73) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL3951084 0.81 ALDH1A1 (0.77) ALDH1A1LMNACYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180175299-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180175300-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 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