SCHEMBL8713301

SCHEMBL8713301

CC(=O)NCc1ccc(CC(C)(C[C@H](N)O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
KMT2A Q03164 1/20 0.44
MMP8 P22894 3/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RIPK1 Q13546 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PDK2 Q15119 1/20 0.39
CYP1A2 P05177 2/20 0.39
EPHX2 P34913 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8717166 0.87 LMNA (0.59) KMT2ARAB9ALMNAHDAC1HDAC6
SCHEMBL8713771 0.86 ADRB2 (0.45) KIF11KMT2ARAB9AALDH1A1POLB
SCHEMBL8713668 0.83 LMNA (0.46) KIF11KMT2ALMNAALDH1A1MAPT
SCHEMBL8719238 0.83 TPH1 (0.39) KIF11RAB9ALMNAHDAC1ALDH1A1
SCHEMBL8714023 0.82 TRPA1 (0.46) KIF11LMNACYP1A2CYP3A4RECQL
SCHEMBL8719185 0.82 KIF11 (0.43) KIF11MMP8PTPN1ALDH1A1CYP1A2
SCHEMBL8713320 0.80 ESR1 (0.38) KIF11LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL8716608 0.80 KIF11 (0.44) KIF11KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8714231 0.80 ESR1 (0.53) KIF11ALDH1A1CYP3A4
SCHEMBL8713802 0.80 KIF11 (0.44) KIF11KMT2ALMNACYP1A2CYP3A4

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed