SCHEMBL8717166

SCHEMBL8717166

CC(Cc1ccc(C(=O)NCc2ccccc2)cc1)(C[C@H](N)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
RAB9A P51151 1/20 0.59
EPHX2 P34913 8/20 0.53
NR1H4 Q96RI1 6/20 0.51
PPARG P37231 1/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC1 Q13547 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC3 O15379 1/20 0.48
EGFR P00533 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL8713274 0.90 RAB9A (0.50) LMNARAB9AEPHX2NR1H4PPARG
SCHEMBL8713301 0.87 KIF11 (0.50) LMNARAB9AEPHX2HDAC6HDAC1
SCHEMBL8719238 0.85 TPH1 (0.39) LMNARAB9AEPHX2NR1H4HDAC1
SCHEMBL8719185 0.84 KIF11 (0.43) EPHX2NR1H4RECQLCYP1A2CYP2C19
SCHEMBL8713668 0.83 LMNA (0.46) LMNAEPHX2NR1H4PPARGRECQL
SCHEMBL8714023 0.82 TRPA1 (0.46) LMNAKDM4ERECQLCYP1A2CYP2C19
SCHEMBL8715390 0.80 KIF11 (0.46) EPHX2NR1H4HDAC6HDAC1RECQL
SCHEMBL8714231 0.77 ESR1 (0.53)
SCHEMBL8713320 0.77 ESR1 (0.38) LMNACYP1A2CYP2C19
SCHEMBL8716608 0.77 KIF11 (0.44) MEN1CYP1A2CYP2C19KMT2A

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