SCHEMBL3708071

SCHEMBL3708071

Cc1cc(C(=O)O)ccc1CCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.53
EPHX2 P34913 1/20 0.49
GRM1 Q13255 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
TSHR P16473 2/20 0.45
MYC P01106 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PTPN7 P35236 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXRA P19793 1/20 0.45
RARB P10826 1/20 0.41
HMGB1 P09429 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41

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
Hydrochloric Acid SCHEMBL12499459 0.98 HTR7 (0.51) HTR7EPHX2GRM1MEN1CYP1A2
SCHEMBL27703415 0.90 EPHX2 (0.47) HTR7EPHX2GRM1MEN1CYP1A2
SCHEMBL11424107 0.85 EPHX2 (0.51) EPHX2GRM1MEN1CYP1A2KMT2A
SCHEMBL11423248 0.85 EPHX2 (0.51) EPHX2GRM1MEN1CYP1A2KMT2A
SCHEMBL3360458 0.85 EPHX2 (0.51) HTR7EPHX2GRM1MEN1CYP1A2
SCHEMBL15905718 0.84 EPHX2 (0.50) EPHX2GRM1MEN1CYP1A2KMT2A
SCHEMBL5223897 0.84 EPHX2 (0.50) EPHX2GRM1MEN1CYP1A2KMT2A
SCHEMBL27622429 0.83 HTR7 (0.57) HTR7EPHX2MEN1CYP1A2KMT2A
SCHEMBL5518254 0.82 NPSR1 (0.63) EPHX2GRM1MEN1CYP1A2KMT2A
SCHEMBL16302403 0.82 EPHX2 (0.49) EPHX2GRM1MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed
WO-2010084090-A1 PYRIDYL-AZA(THIO)XANTHONE SENSITIZER COMPRISING LANTHANIDE(III) ION COMPLEXING COMPOUNDS, THEIR LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS. CIS BIO INTERNATIONAL (FR) 2010-07-29 WO disclosed
CN-101184731-A Indoline compounds FOURNIER LAB SA (FR) 2008-05-21 CN disclosed