SCHEMBL7267014

SCHEMBL7267014

OC(c1ccccc1)c1ccc(OC(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TEAD4 Q15561 1/20 0.44
LTA4H P09960 1/20 0.44
ALOX15 P16050 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
DAGLA Q9Y4D2 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
ADAM17 P78536 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 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
SCHEMBL14034026 0.83 TAS2R14 (0.46) SRD5A2ALDH1A1MAPTKMT2AMEN1
SCHEMBL7984638 0.80 LMNA (0.43) ALDH1A1MAPTKMT2AMEN1TEAD4
SCHEMBL3831819 0.80 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1TEAD4
SCHEMBL7275837 0.80 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1TEAD4
SCHEMBL153060 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1TEAD4
SCHEMBL8671295 0.78 SMN1; SMN2 (0.58) SRD5A2LMNASMN1; SMN2TSHRCA12
SCHEMBL477692 0.77 SRD5A2 (0.72) SRD5A2LTA4HSMN1; SMN2TSHRCA1
Methyl Alcohol SCHEMBL28291167 0.76 MAPT (0.46) ALDH1A1MAPTKMT2AMEN1TEAD4
SCHEMBL7984996 0.75 LMNA (0.62) SRD5A2ALDH1A1MAPTKMT2AMEN1
SCHEMBL18290854 0.75 KMT2A (0.45) ALDH1A1MAPTKMT2AMEN1ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-4935414-A New indolylpropanols, processes for their preparation and their use, and preparations containing the compounds BEIERSDORF AG (DE) 1990-06-19 US disclosed
EP-0297380-A2 Indolyl propanols, process for their preparation, their uses and preparation containing them Beiersdorf-Lilly GmbH (DE) 1989-01-04 EP disclosed