SCHEMBL7777278

SCHEMBL7777278

COc1ccc(-c2cc(OC)ccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
ABL1 P00519 1/20 0.50
ABCB1 P08183 1/20 0.50
BCR P11274 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PRKAB2 O43741 3/20 0.47
PRKAG1 P54619 3/20 0.47
PRKAA2 P54646 3/20 0.47
PRKAA1 Q13131 3/20 0.47
PRKAG3 Q9UGI9 3/20 0.47
PRKAG2 Q9UGJ0 3/20 0.47
PRKAB1 Q9Y478 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL7771075 0.89 ESR2 (0.57) HSP90AA1HSP90AB1ABL1ABCB1BCR
SCHEMBL1337556 0.89 HSP90AA1 (0.53) HSP90AA1HSP90AB1SMN1; SMN2KDM4ECYP1A2
SCHEMBL29473775 0.88 CA1 (0.51) ABL1ABCB1BCRKDM4EPRKAB2
SCHEMBL19785375 0.87 HSP90AA1 (0.56) HSP90AA1HSP90AB1KDM4ECYP1A2CYP2D6
SCHEMBL31265235 0.85 MAPK14 (0.50) HSP90AA1HSP90AB1KDM4ENPC1RAB9A
SCHEMBL29817108 0.85 ABL1 (0.44) ABL1ABCB1BCRSMN1; SMN2PRKAB2
SCHEMBL7777203 0.85 ESR2 (0.57) HSP90AA1ABL1ABCB1BCRSMN1; SMN2
SCHEMBL31265241 0.84 ALDH1A1 (0.56) HSP90AA1HSP90AB1SMN1; SMN2KDM4ECYP1A2
SCHEMBL18949633 0.83 PTGS2 (0.49) HSP90AA1HSP90AB1KDM4ECYP1A2CYP2D6
Methane SCHEMBL28995945 0.83 MEN1 (0.43) ABL1ABCB1BCRSMN1; SMN2PRKAB2

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
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO claimed
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 EP disclosed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 WO disclosed