SCHEMBL20001202

SCHEMBL20001202

CC(C)(C)CC(C)(P)C(=O)OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MGLL Q99685 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
SCHEMBL9951804 0.83 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL2390572 0.80 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL10197309 0.80 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18879808 0.79 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL12997488 0.79 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL2029942 0.78 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL19988394 0.78 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL21120064 0.77 HDAC3 (0.34)
SCHEMBL19652266 0.77 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL24094074 0.76 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRMAPK1

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
EP-3299422-A1 INFRARED ABSORBING COMPOSITION, INFRARED CUT FILTER, LAMINATION, PATTERN FORMING METHOD, AND SOLID-STATE IMAGE CAPTURING ELEMENT FUJIFILM Corporation (JP) 2018-03-28 EP disclosed