SCHEMBL11536593

SCHEMBL11536593

O=C(O)CCc1ccc(C(=O)c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.50
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
CES2 O00748 1/20 0.47
FFAR1 O14842 4/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA1 P30542 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FFAR4 Q5NUL3 2/20 0.44
TBXAS1 P24557 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
VNN1 O95497 2/20 0.42
LMNA P02545 1/20 0.42
CTNNB1 P35222 1/20 0.42

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
SCHEMBL11534779 0.87 KMT2A (0.65) SRD5A2KMT2AHPGDCES2MEN1
SCHEMBL11265763 0.81 HPGD (0.71) SRD5A2KMT2AHPGDFFAR1MEN1
SCHEMBL11532430 0.78 KMT2A (0.46) SRD5A2KMT2AHPGDCES2MEN1
SCHEMBL1237189 0.72 SRD5A2 (0.79) SRD5A2KMT2AHPGDCES2MEN1
SCHEMBL11536587 0.72 CYP3A4 (0.67) SRD5A2KMT2AHPGDCES2MEN1
SCHEMBL11535931 0.72 NPSR1 (0.40) SRD5A2KMT2AHPGDCES2MEN1
SCHEMBL744906 0.72 CTNNB1 (0.62) SRD5A2KMT2ACES2FFAR1MEN1
SCHEMBL11535079 0.72 MAPT (0.73) SRD5A2KMT2AHPGDMEN1ALDH1A1
SCHEMBL1044812 0.71 SRD5A2 (0.83) SRD5A2CES2VNN1LMNA
SCHEMBL365336 0.70 FFAR1 (0.70) KMT2AFFAR1MEN1MAPTFFAR4

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-4159986-A ANALGESICS, ANTIINFLAMMATORY AGENTS ROUSSEL UCLAF (FR) 1979-07-03 US disclosed