SCHEMBL6782872

SCHEMBL6782872

CCC(Sc1ccc(O)cc1)(C(=O)O)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.38
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 1/20 0.36
NAMPT P43490 1/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
GFER P55789 1/20 0.35
RXRA P19793 1/20 0.35
TTR P02766 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CAPN1 P07384 1/20 0.34

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
SCHEMBL6787497 0.81 ADAM17 (0.44) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6785475 0.80 KIF11 (0.38) KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL6785281 0.76 ESR2 (0.40) GAAESR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6786095 0.73 ESR1 (0.39) ESR1ALDH1A1LMNA
SCHEMBL6786562 0.70 HSP90AA1 (0.40) KMT2AMEN1GAAESR1ALDH1A1
SCHEMBL6784818 0.70 ESR1 (0.42) KMT2AMEN1GAAESR1ALDH1A1
SCHEMBL6785959 0.69 KIF11 (0.39) ESR1
SCHEMBL10740520 0.69 MEN1 (0.46) KMT2AMEN1ATMGAAESR1
SCHEMBL6671068 0.67 KMT2A (0.44) KMT2AMEN1ATMGAAALDH1A1
SCHEMBL17102000 0.66 KMT2A (0.49) KMT2AMEN1ATMGAAALDH1A1

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
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed