SCHEMBL7053557

SCHEMBL7053557

O=C(O)c1ccc(OCCN2CCCCC2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
TSHR P16473 1/20 0.58
KDM4E B2RXH2 3/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
CACNA1F O60840 2/20 0.53
CACNA1D Q01668 2/20 0.53
CACNA1S Q13698 2/20 0.53
CACNA1C Q13936 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDR P35968 1/20 0.52
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51

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
Hydrochloric Acid SCHEMBL7055491 0.99 LTA4H (0.57) LTA4HTSHRKDM4EPOLBALDH1A1
SCHEMBL28387724 0.87 TSHR (0.56) LTA4HTSHRKDM4EPOLBALDH1A1
SCHEMBL29944824 0.87 ALDH1A1 (0.71) TSHRKDM4EPOLBALDH1A1MAPT
SCHEMBL3837994 0.87 LTA4H (0.55) LTA4HTSHRKDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL25311845 0.86 ALDH1A1 (0.69) TSHRKDM4EPOLBALDH1A1MAPT
SCHEMBL2741669 0.84 LTA4H (0.58) LTA4HKDM4EALDH1A1HTTPSMB1
SCHEMBL2741670 0.84 LTA4H (0.58) LTA4HKDM4EALDH1A1HTTPSMB1
Hydrochloric Acid SCHEMBL227145 0.83 LTA4H (0.57) LTA4HKDM4EALDH1A1HTTPSMB1
Hydrochloric Acid SCHEMBL228984 0.83 LTA4H (0.57) LTA4HKDM4EALDH1A1HTTPSMB1
SCHEMBL337560 0.81 MRGPRX4 (0.58) TSHRPOLBMAPTHTTSMN1; 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