SCHEMBL13076330

SCHEMBL13076330

C/C=C\C=C\C(I)=C\C=C\C=C(C)\C=C\C=C/C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS1 P23219 1/20 0.38
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12192901 0.77 ALDH1A1 (0.46) ALDH1A1TDP1TSHRALOX15RECQL
SCHEMBL13523399 0.73
SCHEMBL12323822 0.73
SCHEMBL19047426 0.71 ALDH1A1 (0.40) ALDH1A1TDP1TSHRALOX15RECQL
SCHEMBL22419898 0.71
SCHEMBL18966423 0.70
SCHEMBL6702323 0.70
SCHEMBL11126174 0.70
SCHEMBL20942866 0.70 ALDH1A1 (0.43) ALDH1A1TDP1TSHRALOX15RECQL
SCHEMBL20942867 0.70 ALDH1A1 (0.43) ALDH1A1TDP1TSHRALOX15RECQL

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-20100280286-A1 Process For The Preparation of Beta and Alpha Cryptoxanthin UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2010-11-04 US disclosed