SCHEMBL23891777

SCHEMBL23891777

Cc1ccc(C(C)CCC(C)C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
LMNA P02545 6/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 7/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCR5 P51681 1/20 0.34

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
SCHEMBL25686648 0.85 AKR1C3 (0.41) AKR1C3AKR1C2LMNAKMT2AMEN1
SCHEMBL18653239 0.82 LMNA (0.38) LMNAHTTALDH1A1TP53
SCHEMBL30914 0.82 AKR1C3 (0.37) AKR1C3AKR1C2LMNAKMT2AMEN1
SCHEMBL8298727 0.81 ALDH1A1 (0.46) AKR1C3AKR1C2LMNAKMT2AMEN1
SCHEMBL20811478 0.81 ALDH1A1 (0.46) AKR1C3AKR1C2LMNAKMT2AMEN1
SCHEMBL25853238 0.80 AKR1C3 (0.40) AKR1C3AKR1C2LMNAKMT2AMEN1
SCHEMBL29890 0.80 PSEN1 (0.37)
SCHEMBL23891693 0.79 TAS1R3 (0.32)
SCHEMBL19493737 0.76 CES2 (0.34)
SCHEMBL8256534 0.76 AKR1C3 (0.47) AKR1C3AKR1C2LMNAKMT2AMEN1

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-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed