SCHEMBL30399893

SCHEMBL30399893

C[C@@H](O)c1cccc(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
NFKB1 P19838 2/20 0.44
PNMT P11086 1/20 0.44
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
PDE2A O00408 1/20 0.42
ADRB1 P08588 3/20 0.41
ADRB2 P07550 2/20 0.41
AOC3 Q16853 1/20 0.37
HIF1A Q16665 2/20 0.37
BLM P54132 2/20 0.37
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GABRA1 P14867 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL29738186 1.00 CFD (0.47) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL19816269 1.00 CFD (0.47) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL23694656 1.00 CFD (0.47) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL26599108 0.84 CFD (0.45) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL30606603 0.84 CFD (0.45) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL8216990 0.83 CFD (0.50) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL21789838 0.79 CFD (0.47) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL23613124 0.79 CFD (0.47) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL20764909 0.79 CFD (0.44) CFDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL22904307 0.79 P2RX7 (0.50) CFDCYP1A2CYP3A4CYP2D6NFKB1

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
CN-109789146-B Chemokine receptor modulators and uses thereof 拉普特医疗公司 2023-04-18 CN disclosed