SCHEMBL23708686

SCHEMBL23708686

C=CC1CCC(Oc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
LIPE Q05469 9/20 0.47
LIPG Q9Y5X9 1/20 0.44
HPGD P15428 1/20 0.40
TEAD1 P28347 1/20 0.39
HSD11B1 P28845 2/20 0.39
DGAT1 O75907 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL16838858 0.86 EPHX2 (0.51) EPHX2LIPELIPGHPGDHSD11B1
SCHEMBL18855867 0.82 LIPE (0.53) EPHX2LIPELIPGHPGDHSD11B1
SCHEMBL647981 0.81 EPHX2 (0.51) EPHX2LIPELIPGHPGDHSD11B1
SCHEMBL30805661 0.81 EPHX2 (0.51) EPHX2LIPELIPGHPGDHSD11B1
SCHEMBL23207707 0.81 EPHX2 (0.51) EPHX2LIPELIPGHPGDHSD11B1
SCHEMBL649932 0.81 EPHX2 (0.51) EPHX2LIPELIPGHPGDHSD11B1
SCHEMBL30755072 0.81 LIPE (0.52) EPHX2LIPELIPGHPGDHSD11B1
SCHEMBL16839482 0.81 LIPE (0.52) EPHX2LIPELIPGHPGDHSD11B1
Hydrochloric Acid SCHEMBL23167679 0.80 EPHX2 (0.50) EPHX2LIPELIPGHPGDHSD11B1
Hydrochloric Acid SCHEMBL23167614 0.80 EPHX2 (0.50) EPHX2LIPELIPGHPGDHSD11B1

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
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed