SCHEMBL30291997

SCHEMBL30291997

Clc1nccc2c1cnn2C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 4/20 0.42
▸ CYP4A11 Q02928 4/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATR Q13535 11/20 0.39
▸ RET P07949 1/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.36
▸ IDH1 O75874 1/20 0.35

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
SCHEMBL15666749 1.00 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL22499253 0.81 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31179163 0.81 RXRA (0.47) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL17258831 0.80 RXRA (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL476884 0.80 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL17299830 0.79 PDE9A (0.41) —
SCHEMBL29705484 0.79 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL16793799 0.79 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL17200351 0.79 ALDH1A1 (0.43) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24373169 0.79 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG

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
EP-4168392-A1 SULFONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-26 — — EP disclosed
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