SCHEMBL30691966

SCHEMBL30691966

C[C@@H]1OCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
CYP3A4 P08684 8/20 0.44
USP2 O75604 7/20 0.44
TSHR P16473 5/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 3/20 0.43
RHOC P08134 4/20 0.42
RHOA P61586 4/20 0.42
TACR1 P25103 3/20 0.42
CES2 O00748 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13753509 0.75 HPGD (0.56) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL3094857 0.72 CES2 (0.53) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL3094854 0.72 CES2 (0.53) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL30691979 0.71 HIF1A (0.58) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL24513571 0.70 SCN9A (0.49) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL24513784 0.70 SCN9A (0.49) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL24548421 0.70 PDK1 (0.48) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL24548420 0.70 PDK1 (0.48) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL11916143 0.69 HIF1A (0.56) HIF1ACYP3A4USP2TSHRCYP2C19
SCHEMBL1534220 0.69 RHOC (0.62) RHOCRHOATACR1

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
WO-2023248871-A1 HETEROARYL COMPOUND AND PEST CONTROL AGENT 日本曹達株式会社 2023-12-28 WO disclosed