SCHEMBL8688484

SCHEMBL8688484

CCCCCC=CCN1CCCC1(C=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.39
PTPN1 P18031 3/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
TOP1 P11387 3/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL5061241 0.67 L3MBTL1 (0.35) KMT2ATDP1
SCHEMBL10604455 0.65 BDKRB2 (0.35)
Bicarbonate SCHEMBL4345310 0.65 PPARG (0.71) TERTPTPN1PPARGPPARDPPARA
SCHEMBL1645706 0.64 BCHE (0.36) KMT2ATDP1
SCHEMBL28772993 0.64 S1PR1 (0.41) KMT2AKCNH2TDP1
SCHEMBL454182 0.64 S1PR1 (0.41) KMT2AKCNH2TDP1
Bicarbonate SCHEMBL3789802 0.63 TERT (0.75) TERTPTPN1PPARGPPARDPPARA
Bicarbonate SCHEMBL10592426 0.63 TERT (0.75) TERTPTPN1PPARGPPARDPPARA
Bicarbonate SCHEMBL6246658 0.63 TERT (0.75) TERTPTPN1PPARGPPARDPPARA
Bicarbonate SCHEMBL3941976 0.63 TERT (0.75) TERTPTPN1PPARGPPARDPPARA

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-5777104-A Cephem derivatives as anti-metastatic agents PHARMACIA & UPJOHN S.P.A. (IT) 1998-07-07 US claimed