SCHEMBL4051973

SCHEMBL4051973

CC(C)C(=O)c1ccc(COc2ccc(C=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
ADAMTS4 O75173 1/20 0.51
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
PARP10 Q53GL7 2/20 0.50
MAOB P27338 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
PTPRC P08575 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL874405 0.84 MAOB (0.69) RAB9APARP10MAOBSMN1; SMN2ALDH1A1
SCHEMBL22386732 0.84 SMN1; SMN2 (0.69) RXRARXRBADAMTS4MMP2MMP13
SCHEMBL18259995 0.82 NR4A2 (0.68) RXRARXRBRAB9ANPC1PARP10
SCHEMBL6816962 0.82 MAOB (0.69) RXRARXRBPARP10MAOBSMN1; SMN2
SCHEMBL2558683 0.82 NR4A2 (0.68) RXRARXRBRAB9ANPC1PARP10
SCHEMBL22741541 0.82 PARP10 (0.62) RAB9APARP10SMN1; SMN2ALDH1A1LMNA
SCHEMBL18946710 0.81 RAB9A (0.68) RXRARXRBRAB9ANPC1PARP10
SCHEMBL18259961 0.81 NPC1 (0.73) RXRARXRBRAB9ANPC1SMN1; SMN2
SCHEMBL10464779 0.81 NPC1 (0.73) RXRARXRBRAB9ANPC1SMN1; SMN2
SCHEMBL23223734 0.81 RAB9A (0.69) RAB9ANPC1PARP10MAOBSMN1; SMN2

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
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed