SCHEMBL9729622

SCHEMBL9729622

O=C1CCC(c2ccccc2F)(c2ccccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C9 P11712 1/20 0.53
HDAC4 P56524 3/20 0.42
HSD11B1 P28845 2/20 0.39
HSD11B2 P80365 1/20 0.39
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
PDE7A Q13946 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
HCAR2 Q8TDS4 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
SCHEMBL14672650 0.84 MEN1 (0.50) MEN1KMT2ACYP2C9HDAC4HSD11B1
SCHEMBL16091019 0.84 MEN1 (0.50) MEN1KMT2ACYP2C9HDAC4HSD11B1
SCHEMBL17982791 0.81 MEN1 (0.41) MEN1KMT2ACYP2C9HDAC4PSEN1
SCHEMBL6952827 0.81 OPRM1 (0.50) MEN1KMT2ACYP2C9HDAC4PSEN1
SCHEMBL14672582 0.80 MEN1 (0.46) MEN1KMT2ACYP2C9OPRM1OPRL1
Hydrochloric Acid SCHEMBL5766867 0.79 MEN1 (0.40) MEN1KMT2ACYP2C9HDAC4PSEN1
SCHEMBL30666454 0.79 KMT2A (0.57) MEN1KMT2ACYP2C9GAARECQL
SCHEMBL5894829 0.79 KMT2A (0.57) MEN1KMT2ACYP2C9GAARECQL
SCHEMBL1557008 0.78 MEN1 (0.39) MEN1KMT2ACYP2C9HDAC4PSEN1
SCHEMBL2830652 0.78 CYP2C9 (0.39) MEN1KMT2ACYP2C9HDAC4PSEN1

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
US-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed