SCHEMBL8433302

SCHEMBL8433302

CC(C)N(C(=O)COc1ccc(-c2c(F)cc(C(=O)O)cc2F)cc1)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.70
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.45
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PLA2G4B P0C869 1/20 0.42
ALPL P05186 1/20 0.41
SSTR5 P35346 1/20 0.41
RARB P10826 1/20 0.40
TTR P02766 2/20 0.40
BCHE P06276 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
SCHEMBL8433669 0.86 SRD5A2 (0.71) SRD5A2MEN1PKMKMT2AALDH1A1
SCHEMBL8437275 0.85 SRD5A2 (0.74) SRD5A2MEN1PKMKMT2AALDH1A1
SCHEMBL8070858 0.83 SRD5A2 (1.00) SRD5A2MEN1PKMKMT2ANPC1
SCHEMBL6539987 0.81 SRD5A2 (0.91) SRD5A2MEN1PKMKMT2AALDH1A1
SCHEMBL8435714 0.78 SRD5A2 (0.70) SRD5A2MEN1PKMKMT2AALDH1A1
SCHEMBL8084620 0.76 SRD5A2 (1.00) SRD5A2MEN1PKMKMT2AALDH1A1
SCHEMBL8078523 0.75 SRD5A2 (1.00) SRD5A2MEN1PKMKMT2AALDH1A1
SCHEMBL8070861 0.74 SRD5A2 (0.74) SRD5A2MEN1PKMKMT2AALDH1A1
SCHEMBL8435627 0.74 NR4A2 (0.63) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL8079904 0.73 SRD5A2 (1.00) SRD5A2MEN1PKMKMT2AALDH1A1

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
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed