SCHEMBL27607299

SCHEMBL27607299

CCCC(=O)O[C@H]1CCc2cc(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 5/20 0.50
KMT2A Q03164 4/20 0.50
CYP3A4 P08684 4/20 0.50
MEN1 O00255 3/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX15 P16050 2/20 0.50
PGR P06401 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
AR P10275 2/20 0.50
PTGS1 P23219 2/20 0.50
PDE3A Q14432 2/20 0.50
POLB P06746 1/20 0.50
CHRM1 P11229 1/20 0.50
TBXA2R P21731 1/20 0.50
ATM Q13315 1/20 0.50
USP2 O75604 1/20 0.50
HIF1A Q16665 1/20 0.46

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
SCHEMBL5727621 0.92 MAPT (0.59) ESR1MAPTLMNAKMT2ACYP3A4
SCHEMBL7125261 0.89 MAPT (0.56) ESR1MAPTLMNAKMT2ACYP3A4
SCHEMBL7123434 0.84 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27332720 0.82 ALDH1A1 (0.51) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6206994 0.81 MAPK1 (0.53) ESR1MAPTLMNAKMT2ACYP3A4
SCHEMBL6292654 0.80 PPARD (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5727619 0.79 ESR1 (0.48) ESR1MAPTLMNAKMT2ACYP3A4
SCHEMBL5726773 0.77 MTNR1B (0.52) ESR1MAPTLMNAKMT2ACYP3A4
SCHEMBL9404746 0.74 MAPT (0.89) ESR1MAPTLMNAKMT2ACYP3A4
SCHEMBL19393249 0.74 MAPT (0.89) ESR1MAPTLMNAKMT2ACYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100591657-C Indane acetic acid compound BAYER PHARMACEUTICALS CORP 2010-02-24 CN disclosed
CN-100528850-C Indane acetic acid derivatives, their use as medicaments, intermediates and processes for their preparation BAYER AG (US) 2009-08-19 CN disclosed
CN-1854118-A Indane acetic acid compound BAYER PHARMACEUTICALS CORP (US) 2006-11-01 CN disclosed
CN-1558905-A Indane acetic acid derivatives, their use as medicaments, intermediates and processes for their preparation ������˹ҩƷ��˾ 2004-12-29 CN disclosed