SCHEMBL1977807

SCHEMBL1977807

C[C@H](CCC(=O)NCCN)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.80
▸ SLC10A2 Q12908 2/20 0.80
▸ ABCC4 O15439 2/20 0.80
▸ TBXA2R P21731 1/20 0.74
▸ PDE3A Q14432 1/20 0.74
▸ NR1H4 Q96RI1 1/20 0.74
▸ MAPT P10636 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ USP2 O75604 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ CA1 P00915 9/20 0.72
▸ CA2 P00918 9/20 0.72
▸ VDR P11473 2/20 0.64
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ EPHA2 P29317 1/20 0.63

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
SCHEMBL19577615 1.00 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL14485302 0.95 GPBAR1 (0.85) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL21925650 0.94 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19549230 0.94 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL19549224 0.94 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL21923105 0.94 GPBAR1 (0.79) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL25658157 0.92 GPBAR1 (0.81) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL18199508 0.92 GPBAR1 (0.81) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL14497558 0.91 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A
SCHEMBL12250467 0.91 GPBAR1 (0.80) GPBAR1SLC10A2ABCC4TBXA2RPDE3A

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
WO-2011070436-A2 IN SITU CROSS LINKED BIODEGRADABLE GEL WITH HYDROPHOBIC POCKETS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-06-16 — — WO claimed
WO-2011070436-A2 IN SITU CROSS LINKED BIODEGRADABLE GEL WITH HYDROPHOBIC POCKETS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-06-16 — — WO disclosed
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