SCHEMBL8501430

SCHEMBL8501430

CCC(=O)Oc1ccc(Oc2c(-c3ccc(F)cc3)ccc3cc(OC)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.46
ESR2 Q92731 9/20 0.46
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
GRM2 Q14416 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL8497579 0.93 SMN1; SMN2 (0.42) ESR1ESR2AKR1C3AKR1C2GRM2
SCHEMBL8501462 0.90 ESR1 (0.47) ESR1ESR2KDM4EALDH1A1MAPT
SCHEMBL8501243 0.89 KDM4E (0.39) ESR1ESR2KDM4EALDH1A1MAPT
SCHEMBL8497867 0.89 ESR1 (0.57) ESR1ESR2
SCHEMBL8497439 0.89 ESR1 (0.49) ESR1ESR2AKR1C3AKR1C2KDM4E
SCHEMBL8501225 0.88 ESR1 (0.43) ESR1ESR2AKR1C3AKR1C2GRM2
SCHEMBL8501413 0.88 AKR1C3 (0.42) ESR1ESR2AKR1C3AKR1C2GRM2
SCHEMBL8497550 0.86 ESR1 (0.49) ESR1ESR2KDM4EALDH1A1MAPT
SCHEMBL8502205 0.86 MTNR1A (0.43) ESR1ESR2AKR1C3AKR1C2TDP1
SCHEMBL8497879 0.86 KMT2A (0.42) ESR1ESR2AKR1C3AKR1C2GRM2

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-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed