SCHEMBL3420850

SCHEMBL3420850

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OSBP P22059 6/20 1.00
NR1H3 Q13133 6/20 1.00
RORC P51449 5/20 1.00
OSBP2 Q969R2 3/20 1.00
CRYAB P02511 1/20 1.00
HMGCR P04035 1/20 1.00
ITGB3 P05106 1/20 1.00
ITGAV P06756 1/20 1.00
SREBF2 Q12772 1/20 1.00
NPC1L1 Q9UHC9 1/20 1.00
GRIN1 Q05586 6/20 0.91
GRIN2A Q12879 6/20 0.91
GRIN2B Q13224 5/20 0.91
USP2 O75604 1/20 0.80
LMNA P02545 1/20 0.80
ABCB1 P08183 1/20 0.80
CYP46A1 Q9Y6A2 1/20 0.80
PTPN1 P18031 2/20 0.74
DHCR24 Q15392 1/20 0.73
EPHA2 P29317 1/20 0.72

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
SCHEMBL6388323 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL15435130 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL177268 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL25035613 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL177267 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL23563231 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL17049791 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL14420777 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL22559541 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB
SCHEMBL20299556 1.00 OSBP (1.00) OSBPNR1H3RORCOSBP2CRYAB

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
EP-2181710-A1 Ligands for modulation of orphan receptor-gamma (NR1F3) activity Phenex Pharmaceuticals AG (DE) 2010-05-05 EP disclosed
EP-0943332-A1 Prevention and treatment of adhesions NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1999-09-22 EP disclosed