SCHEMBL19996992

SCHEMBL19996992

CCC(C)(C)C1CCCC(N(C2CCCCCCC2)C2CCCC(C(C)(N)CC)CCC2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL19592025 0.89 ADH1A (0.36) ALDH1A1LMNASMN1; SMN2MEN1ALOX12
SCHEMBL19996991 0.89 ADH1A (0.36) ALDH1A1LMNASMN1; SMN2MEN1ALOX12
SCHEMBL19997020 0.89 ADH1A (0.36) ALDH1A1LMNASMN1; SMN2MEN1ALOX12
SCHEMBL17976970 0.83 CYP1A2 (0.36) ALDH1A1LMNASMN1; SMN2MEN1ALOX12
SCHEMBL26257483 0.81 CYP1A2 (0.32) ALDH1A1LMNASMN1; SMN2MEN1ALOX12
SCHEMBL1396813 0.79 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2MEN1ALOX12
SCHEMBL27756281 0.77
SCHEMBL8759751 0.77 KDM4E (0.38) ALDH1A1LMNASMN1; SMN2MEN1ALOX12
SCHEMBL19591983 0.74
SCHEMBL8485703 0.72

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
US-9929343-B2 Organic semiconductor doping process OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-03-27 US disclosed