SCHEMBL11102490

SCHEMBL11102490

CCOC(=O)CC1Oc2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.46
IDO1 P14902 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL11107214 0.87 ALDH1A1 (0.44) CYP1A2ALDH1A1POLBIDO1MEN1
SCHEMBL11112200 0.87 CYP1A2 (0.45) CYP1A2ALDH1A1POLBIDO1MEN1
SCHEMBL11104931 0.86 ALDH1A1 (0.48) CYP1A2ALDH1A1POLBMEN1KMT2A
SCHEMBL11106274 0.86 MAPT (0.50) CYP1A2ALDH1A1POLBIDO1SIGMAR1
SCHEMBL11105219 0.86 L3MBTL1 (0.45) CYP1A2ALDH1A1POLBIDO1MEN1
SCHEMBL11113937 0.86 CYP1A2 (0.50) CYP1A2ALDH1A1POLBIDO1MEN1
SCHEMBL11103926 0.86 MAPT (0.47) CYP1A2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11101724 0.86 CYP1A2 (0.44) CYP1A2ALDH1A1POLBIDO1MEN1
SCHEMBL11112674 0.86 CYP1A2 (0.47) CYP1A2ALDH1A1POLBIDO1MEN1
SCHEMBL11113589 0.86 CYP1A2 (0.46) CYP1A2ALDH1A1POLBIDO1MEN1

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-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 US disclosed