SCHEMBL30852256

SCHEMBL30852256

CCOC(=O)CC1CCC(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.48
CACNA1C Q13936 2/20 0.46
HTR2C P28335 2/20 0.46
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL30851883 0.83 CYP11B1 (0.46) RBP4CACNA1CKDM4E
SCHEMBL17730953 0.83 BRD4 (0.46) KDM4EALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL28171054 0.79 JAK2 (0.43) KDM4ETDP1L3MBTL1TP53HCRTR2
SCHEMBL180554 0.77 IDO1 (0.49) KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL10188552 0.77 DGAT1 (0.46) HTR2CKDM4EALDH1A1GAAMAPK1
SCHEMBL17505317 0.76 RBP4 (0.69) RBP4L3MBTL1
SCHEMBL30852120 0.75 CYP11B1 (0.41) RBP4
SCHEMBL28713042 0.75 HTR2C (0.63) RBP4HTR2CGAATDP1
SCHEMBL5007618 0.74 HTR2C (0.75) RBP4HTR2CGAATDP1
SCHEMBL19984879 0.74 CYP11B1 (0.56) CACNA1CKDM4EALDH1A1GAAMAPK1

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