SCHEMBL6660448

SCHEMBL6660448

NCC1=CC=CC(C=CC(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1331671 0.72 TSHR (0.30) TSHRMAPK1HSD17B10TDP1
SCHEMBL7102475 0.72 TSHR (0.30) TSHRMAPK1HSD17B10TDP1
SCHEMBL967282 0.64
SCHEMBL24988792 0.58
SCHEMBL31437614 0.57
SCHEMBL6652488 0.57 TSHR (0.40) TSHRHSD17B10TDP1
Benzylamine SCHEMBL8533927 0.56 LOXL2 (0.64) TSHRKDM4ESMN1; SMN2
Benzylamine SCHEMBL10445229 0.56 LOXL2 (0.64) TSHRKDM4ESMN1; SMN2
Benzylamine SCHEMBL8533923 0.56 LOXL2 (0.64) TSHRKDM4ESMN1; SMN2
SCHEMBL24435441 0.53 HCAR2 (0.38) TSHRMAPK1HSD17B10TDP1THRB

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
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed