SCHEMBL8520631

SCHEMBL8520631

CN(CCCCCC(=O)O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
KDM4C Q9H3R0 6/20 0.50
KDM5A P29375 4/20 0.50
PHF8 Q9UPP1 2/20 0.50
KDM4A O75164 2/20 0.50
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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 SCHEMBL27668104 0.98 KDM4C (0.51) TSHRLMNANFKB1PMP22KDM4C
SCHEMBL11774570 0.89 TSHR (0.60) TSHRLMNANFKB1PMP22KDM4C
SCHEMBL11723098 0.89 LTA4H (0.49) TSHRLMNAPMP22KDM4CKDM5A
SCHEMBL11213026 0.84 KDM4C (0.55) TSHRLMNANFKB1PMP22KDM4C
SCHEMBL22815161 0.84 TDP1 (0.46) TSHRLMNAPMP22KDM4CKDM5A
SCHEMBL4002025 0.83 TSHR (0.52) TSHRLMNAKDM4CKDM5APHF8
SCHEMBL7789834 0.83 KMT2A (0.60) TSHRKDM4CKDM5APHF8KDM4A
SCHEMBL9265588 0.83 KDM4C (0.68) TSHRLMNANFKB1PMP22KDM4C
SCHEMBL12051216 0.83 KDM4C (0.68) TSHRLMNANFKB1PMP22KDM4C
SCHEMBL10610457 0.83 KDM4C (0.54) TSHRKDM4CKDM5APHF8KDM4A

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-5869527-A 6-(N-carboxymethylamino)caproate, salts thereof and methods of use therefor ALTEON INC. (US) 1999-02-09 US disclosed