SCHEMBL9469330

SCHEMBL9469330

CC(C)(C)COC(O)C=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
AHR P35869 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.36
TTR P02766 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL7923413 0.81 MEN1 (0.49) MEN1KMT2ACYP3A4CYP1A2AHR
SCHEMBL7923406 0.81 MEN1 (0.49) MEN1KMT2ACYP3A4CYP1A2AHR
SCHEMBL19167454 0.77 CYP1A2 (0.44) MEN1KMT2ACYP3A4KDM4EUSP2
SCHEMBL3034599 0.76 IDO1 (0.52) MEN1KMT2APPARA
SCHEMBL7768689 0.75 MEN1 (0.44) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL20977996 0.75 MEN1 (0.44) MEN1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL1657287 0.74 TRPA1 (0.45) MEN1KMT2ACYP3A4KDM4EUSP2
SCHEMBL1657281 0.74 TRPA1 (0.45) MEN1KMT2ACYP3A4KDM4EUSP2
SCHEMBL18903847 0.73 EGFR (0.43) MEN1KMT2AALDH1A1SMN1; SMN2EGFR
SCHEMBL2768370 0.73 CYP2C19 (0.46) MEN1KMT2ACYP3A4KDM4EUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252540-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-10-12 US claimed
US-5252540-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-10-12 US disclosed