SCHEMBL31111100

SCHEMBL31111100

Oc1c(F)c(F)c2c(cnn2C2CCCCO2)c1F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 4/20 0.45
▸ CYP4A11 Q02928 4/20 0.45
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ PDE9A O76083 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATR Q13535 1/20 0.31

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
SCHEMBL27287833 0.89 CYP4F2 (0.42) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL31625850 0.89 CYP4F2 (0.42) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL31111161 0.84 CYP4F2 (0.40) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL21196060 0.84 CYP4F2 (0.45) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL31111006 0.80 CYP4F2 (0.46) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL29344187 0.79 CYP4F2 (0.41) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL27287826 0.78 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL30840550 0.78 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL31179123 0.78 CYP4F2 (0.44) CYP4F2CYP4A11LMNAALDH1A1POLB
SCHEMBL28673628 0.78 CYP4F2 (0.49) CYP4F2CYP4A11LMNAALDH1A1POLB

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-4673141-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 — — EP disclosed
WO-2024182751-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 — — WO disclosed
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