SCHEMBL28654716

SCHEMBL28654716

Fc1c(Cl)c(Cl)cc2c1cnn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.41
▸ CYP4A11 Q02928 3/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.34
▸ PDE1A P54750 2/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ RET P07949 1/20 0.34
▸ YTHDC1 Q96MU7 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ ATR Q13535 4/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ MAPT P10636 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
SCHEMBL21195846 0.91 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31348382 0.88 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31299320 0.88 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31084402 0.88 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31348332 0.86 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21195995 0.85 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21195842 0.85 RXRA (0.43) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21196028 0.85 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29804208 0.85 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30950246 0.81 CYP4F2 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113637005-B KRAS inhibitors for cancer treatment 泰励生物科技(上海)有限公司 2024-05-24 — — CN disclosed
CN-113637005-A KRAS inhibitors for cancer treatment 泰励生物科技(上海)有限公司 2021-11-12 — — CN disclosed
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