SCHEMBL27475366

SCHEMBL27475366

C[C](C)c1ccc(C(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
RAB9A P51151 5/20 0.59
HPGD P15428 4/20 0.59
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
HSD17B1 P14061 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 3/20 0.52
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NPC1 O15118 4/20 0.50
STAT3 P40763 1/20 0.50
STAT1 P42224 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
STS P08842 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL50646 0.90 MAPT (0.68) MAPTRAB9AHPGDLMNAL3MBTL1
Acetic Acid SCHEMBL28009208 0.84 MAPT (0.67) MAPTRAB9AHPGDLMNAL3MBTL1
Benzene SCHEMBL5533098 0.84 MAPT (0.75) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL1552000 0.83 ESR1 (0.38) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL23691954 0.81 MAPT (0.59) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL131397 0.81 LMNA (0.60) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL11441494 0.81 MAPT (0.80) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL14211973 0.81 CES2 (0.60) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL15339369 0.81 CES2 (0.60) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL197130 0.81 MAPT (0.80) MAPTRAB9AHPGDLMNAL3MBTL1

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
CN-1145609-C Piperazine compounds and medical use thereof ������ҩ��ʽ���� 2004-04-14 CN disclosed
CN-1281438-A Piperazine compounds and their use as pharmaceuticals EFUKU CO LTD (JP) 2001-01-24 CN disclosed