SCHEMBL10400577

SCHEMBL10400577

CCOC(=O)C1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.40
NR1D1 P20393 1/20 0.40
NOTUM Q6P988 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL9752907 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9752011 0.88 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2ACYP4F2
SCHEMBL32687865 0.87 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9128468 0.87 ALDH1A1 (0.54) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9752004 0.87 L3MBTL1 (0.40) ALDH1A1TSHRMEN1KMT2ACYP4F2
SCHEMBL9751983 0.86 ALDH1A1 (0.40) ALDH1A1CYP4F2CYP4A11SMN1; SMN2KDM4E
SCHEMBL7487260 0.85 NISCH (0.54) ALDH1A1TSHRMEN1KMT2ACYP4F2
SCHEMBL10400814 0.84 TSHR (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL9752743 0.84 PPARG (0.47) ALDH1A1TSHRTDP1KDM4EPOLB
SCHEMBL9752005 0.83 MAOA (0.42) ALDH1A1TSHRKMT2AKDM4EPOLB

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-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed