SCHEMBL24401110

SCHEMBL24401110

OCCn1nc(C(F)(F)F)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL538163 0.84 LMNA (0.44) ESR1LMNAKDM4EGAAALDH1A1
SCHEMBL21768434 0.84 LMNA (0.35) ESR1LMNAKDM4EGAAALDH1A1
SCHEMBL27507519 0.81 LMNA (0.43) ESR1LMNAKDM4ETP53L3MBTL1
SCHEMBL12181175 0.80 LMNA (0.51) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL938534 0.79 LMNA (0.43) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL19105615 0.76 CNR1 (0.38) ESR1LMNAKDM4EGAATP53
SCHEMBL13169975 0.74 LMNA (0.46) LMNAKDM4EGAAALDH1A1HPGD
SCHEMBL15148105 0.73 GRN (0.48) ESR1LMNAKDM4EGAAALDH1A1
SCHEMBL14671569 0.73 GAA (0.34) LMNAKDM4EGAATP53L3MBTL1
SCHEMBL537472 0.72 HDAC3 (0.41) LMNAKDM4EALDH1A1POLBHDAC3

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-4238974-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2022089454-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2022-05-05 WO disclosed