SCHEMBL10603000

SCHEMBL10603000

CCC(C)CNc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
BACE1 P56817 1/20 0.49
ALDH1A1 P00352 5/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 3/20 0.49
RECQL P46063 1/20 0.49
HPGD P15428 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 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
SCHEMBL1520981 0.84 IDO1 (0.59) CA12CA4CA7CA9CA14
SCHEMBL13493337 0.83 CA12 (0.54) CA12CA4CA7CA9CA14
SCHEMBL14689453 0.81 BACE1 (0.57) CA12CA4CA7CA9CA14
SCHEMBL29828333 0.77 CA12 (0.60) CA12CA4CA7CA9CA14
SCHEMBL27648630 0.77 CA12 (0.60) CA12CA4CA7CA9CA14
SCHEMBL60765 0.77 CA12 (0.60) CA12CA4CA7CA9CA14
SCHEMBL13044587 0.77 EPHX1 (0.66) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL11142118 0.77 IDO1 (0.47) ALDH1A1TSHRHSD17B10HPGDIDO1
SCHEMBL19676565 0.77 MAPT (0.55) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL8379148 0.76 ALDH1A1 (0.46) CA12CA4CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0107492-B1 HELICHROMIC-SMECTIC LIQUID CRYSTAL COMPOSITIONS AND DISPLAY CELLS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-09 EP disclosed
EP-0044666-B1 HELICHROMIC COMPOUNDS AND DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-29 EP disclosed
US-4514045-A DICHROISM; COMPLETE LIGHT ABSORPTION; LOW VOLTAGE; CONTRAST MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-30 US disclosed
EP-0107492-A2 Helichromic-smectic liquid crystal compositions and display cells MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-02 EP disclosed
US-4394070-A Helichromic compounds and displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-07-19 US disclosed
EP-0044666-A2 Helichromic compounds and displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-01-27 EP disclosed