SCHEMBL6896656

SCHEMBL6896656

O=C(c1cc(C(F)(F)F)ccc1F)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
CES2 O00748 2/20 0.46
LIPC P11150 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
PDE2A O00408 1/20 0.43
HSD11B1 P28845 2/20 0.43
HTR1F P30939 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
MGLL Q99685 3/20 0.42
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL9156406 0.87 GAA (0.49) MEN1TSHRKMT2ACES2PDE2A
SCHEMBL31396387 0.82 KDM4E (0.50) MEN1TSHRKMT2ACES2LIPC
SCHEMBL2960444 0.80 STS (0.56) KMT2AHSD11B1
SCHEMBL20971825 0.78 SLC6A4 (0.46) MEN1TSHRKMT2ACES2PDE2A
SCHEMBL43771 0.77 ALDH1A1 (0.59) MEN1KMT2ACES2LIPCLIPG
SCHEMBL29382489 0.77 ALDH1A1 (0.59) MEN1KMT2ACES2LIPCLIPG
SCHEMBL1341192 0.76 KDM4E (0.47) MEN1TSHRKMT2ACES2LIPC
SCHEMBL1173693 0.76 DGAT1 (0.44) MEN1TSHRKMT2ACES2HSD11B1
SCHEMBL17680658 0.76 HTR1F (0.41) MEN1TSHRKMT2ACES2HSD11B1
SCHEMBL2073688 0.75 CES2 (0.52) MEN1TSHRKMT2ACES2PDE2A

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-1482925-A1 5-(2-HYDROXY-3-'1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPL!-PROPIONYLAMINO)-PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY Schering AG (DE) 2004-12-08 EP disclosed
WO-2003075915-A1 5-}2-HYDROXY-3-`1-(3-TRIFLUOROMETHYLPHENYL)-CYCLOPROPYL!-PROPIONYLAMINO}- PHTALIDE AND RELATED COMPOUNDS WITH PROGESTERONE RECEPTOR MODULATING ACTIVITY FOR USE IN FERTILITY CONTROL AND HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 2003-09-18 WO disclosed