SCHEMBL8980104

SCHEMBL8980104

CCc1ccccc1NC(=O)C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
POLB P06746 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 3/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL3022917 0.89 MAPT (0.54) MAPTALDH1A1GAAPOLBHDAC3
SCHEMBL6933671 0.87 POLB (0.46) MAPTALDH1A1GAAPOLBHDAC3
SCHEMBL7178423 0.85 EGFR (0.52) MAPTALDH1A1GAAPOLBHDAC3
SCHEMBL28915252 0.85 MAPT (0.51) MAPTALDH1A1GAAPOLBHDAC3
SCHEMBL10843418 0.84 MAPT (0.50) MAPTALDH1A1GAAPOLBHDAC3
SCHEMBL951304 0.82 HPGD (0.59) MAPTALDH1A1GAAPOLBHDAC3
SCHEMBL951306 0.82 HPGD (0.59) MAPTALDH1A1GAAPOLBHDAC3
SCHEMBL30764108 0.82 KDM4E (0.65) MAPTALDH1A1GAAPOLBPKM
SCHEMBL8980129 0.82 L3MBTL1 (0.62) MAPTALDH1A1POLBPKMHTT
SCHEMBL12529039 0.82 HPGD (0.59) MAPTALDH1A1GAAPOLBHDAC3

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
EP-2596056-B1 ADDITIVE COMBINATION FOR SEALANTS APPLICATIONS BASF SE (DE) 2014-05-14 EP disclosed
US-5556998-A Transition metal complex, process for the preparation of the same, and asymmetric hydrogenation catalyst comprising the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-09-17 US disclosed