SCHEMBL7050856

SCHEMBL7050856

Cc1cc(C(=O)O)cc(C)c1OCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 7/20 0.50
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTR1A P08908 1/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL7048689 0.89 ALDH1A1 (0.57) MEN1KMT2AKDM4EPSMB1PSMB5
SCHEMBL9518234 0.87 ALDH1A1 (0.50) MEN1KMT2AKDM4EPSMB1PSMB5
SCHEMBL7988768 0.86 MEN1 (0.68) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13915098 0.83 KDM4E (0.56) MEN1KMT2AKDM4EPSMB1PSMB5
SCHEMBL11528246 0.81 CHRNA7 (0.47) MEN1KMT2AKDM4EPSMB1PSMB5
SCHEMBL9622975 0.79 PLAU (0.49) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11527115 0.79 MEN1 (0.47) MEN1KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL14578269 0.77 ALDH1A1 (0.55) KDM4EHTTSMN1; SMN2HTR1AALDH1A1
SCHEMBL6996167 0.77 ALDH1A1 (0.55) MEN1KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL2319002 0.77 KMT2A (0.57) MEN1KMT2AKDM4EHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791590-B1 Benzothiophenes, and formulations and methods using same LILLY CO ELI (US) 2003-05-02 EP disclosed
US-6432982-B1 TREATING POST-MENOPAUSAL WOMEN HAVING OSTEOPOROSIS, CARDIOVASCULAR DISORDERS AND ESTROGEN-DEPENDENT CANCER; RESTENOSIS INHIBITION; ENDOMETRIOSIS ELI LILLY AND COMPANY 2002-08-13 US disclosed
EP-0791590-A1 Benzothiophenes, and formulations and methods using same ELI LILLY AND COMPANY (US) 1997-08-27 EP disclosed