SCHEMBL18974039

SCHEMBL18974039

C#CCOc1ccc(C(C)(C)c2ccc(OCCCO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ HTT P42858 1/20 0.44
▸ GSTP1 P09211 1/20 0.43
▸ PSMB1 P20618 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ PSMB2 P49721 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ AR P10275 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA7 P43166 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
SCHEMBL18974742 0.88 SMN1; SMN2 (0.46) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL8161375 0.87 CA12 (0.49) KDM4EMEN1KMT2APOLBSMN1; SMN2
SCHEMBL17912 0.87 KDM4E (0.56) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL14962823 0.86 SMN1; SMN2 (0.45) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL14962824 0.85 SMN1; SMN2 (0.44) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL26736145 0.84 SMN1; SMN2 (0.62) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL12516724 0.83 ESR1 (0.53) MEN1KMT2ALMNASMN1; SMN2CYP3A4
SCHEMBL15803992 0.82 CA12 (0.45) KDM4EMEN1KMT2APOLBSMN1; SMN2
SCHEMBL19978962 0.82 KDM4E (0.52) KDM4EMEN1KMT2APOLBLMNA
SCHEMBL8507007 0.81 SMN1; SMN2 (0.57) KDM4EMEN1KMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521707-B1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-06-14 — — EP disclosed
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