SCHEMBL9489697

SCHEMBL9489697

CC(C)(C)c1c(O)ccc(CCC(=O)NCCCCCCNC(=O)CCc2ccc(O)c(C(C)(C)C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
PYGL P06737 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41

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
SCHEMBL8628066 0.96 POLB (0.43) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL5690773 0.81 GAA (0.49) KMT2AMAPTALDH1A1GAAPOLB
SCHEMBL30337061 0.77 POLB (0.47) ALDH1A1POLB
SCHEMBL55627 0.77 POLB (0.47) ALDH1A1POLB
SCHEMBL7247782 0.77 CNR1 (0.39) KMT2AMAPTALDH1A1HPGDHSD17B10
SCHEMBL7754793 0.76 TP53 (0.42) ALDH1A1SMN1; SMN2POLB
Methane SCHEMBL9285119 0.76 POLB (0.46) ALDH1A1POLB
SCHEMBL924084 0.74 KMT2A (0.58) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL7246430 0.73 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL27424171 0.71 CYP4F2 (0.50) ALDH1A1SMN1; SMN2HPGDHSD17B10GAA

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
EP-0366040-B1 COMPOUNDS CONTAINING PHENOL GROUPS AS ANTIOXIDANTS IN ORGANIC MATERIALS CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed