SCHEMBL4763672

SCHEMBL4763672

CC1(O)CCC(O)CC1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SHBG P04278 3/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
CYP3A4 P08684 2/20 0.38
SERPINA6 P08185 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34
G6PD P11413 2/20 0.33
MEN1 O00255 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GMNN O75496 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL8984298 0.81
SCHEMBL7734384 0.78 SHBG (0.36) LMNASHBGGPBAR1CYP3A4SERPINA6
SCHEMBL9793502 0.78 PTPN2 (0.33) PTPN2PTPN1
SCHEMBL5868448 0.77 LMNA (0.39) LMNASHBGGPBAR1CYP3A4SERPINA6
SCHEMBL27690580 0.74 LMNA (0.32) LMNASHBGGPBAR1CYP3A4SERPINA6
SCHEMBL4638372 0.73 PTPN2 (0.31) PTPN2PTPN1
SCHEMBL8609277 0.73 PTPN2 (0.31) PTPN2PTPN1
SCHEMBL21365356 0.73 PTPN2 (0.31) PTPN2PTPN1
SCHEMBL9628344 0.73 PTPN2 (0.31) PTPN2PTPN1
SCHEMBL8607454 0.73 PTPN2 (0.31) PTPN2PTPN1

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
JP-2008293026-A LIQUID MEDICINE FOR CONTACT LENS TOMEY CORP 2008-12-04 JP disclosed