SCHEMBL30851883

SCHEMBL30851883

CCOC(=O)CC1CCC(c2cnccc2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
RBP4 P02753 3/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
GPR119 Q8TDV5 1/20 0.37
CYP17A1 P05093 1/20 0.37
SSTR4 P31391 2/20 0.37
OPRL1 P41146 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
DGAT1 O75907 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL30852120 0.92 CYP11B1 (0.41) CYP11B1CYP11B2RBP4JAK2JAK1
SCHEMBL30852256 0.83 RBP4 (0.48) RBP4KDM4ECACNA1C
SCHEMBL30851954 0.82 JAK2 (0.42) CYP11B1CYP11B2JAK2JAK1TYK2
SCHEMBL17731272 0.76 DGAT1 (0.48) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL17731258 0.75 TSHR (0.48) CYP11B2JAK2JAK1TYK2JAK3
SCHEMBL10188552 0.73 DGAT1 (0.46) CYP11B1CYP11B2JAK2JAK1TYK2
SCHEMBL21836594 0.73 JAK2 (0.46) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL19899845 0.73 JAK2 (0.46) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL19900749 0.73 JAK2 (0.46) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL21836492 0.72 CCRL2 (0.53) CYP11B1CYP11B2JAK2JAK1TYK2

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-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed