SCHEMBL7970072

SCHEMBL7970072

Oc1ccc(CC2c3cc(O)c(O)cc3-c3cc(O)c(O)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
ESR1 P03372 9/20 0.40
ESR2 Q92731 9/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
CAPN1 P07384 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
CYP26A1 O43174 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL7981259 0.85 ADRB2 (0.46) KDM1ADRD2IGF1RALOX15
SCHEMBL7970224 0.81 CYP19A1 (0.41)
SCHEMBL9367629 0.81 IGF1R (0.46) KDM1ADRD2DRD4ESR1ESR2
SCHEMBL2611809 0.73 ESR1 (0.44) KDM1ADRD2DRD4ESR1ESR2
SCHEMBL25471931 0.65 IGF1R (0.47) KDM1ADRD2DRD4IGF1RALOX15
SCHEMBL16539039 0.64 CAPN1 (0.47) KDM1ADRD2DRD4ESR1ESR2
SCHEMBL23551067 0.64 BCL2 (0.42) DRD2IGF1RALOX15MAPT
SCHEMBL22012833 0.61 ESR1 (0.48) ESR1ESR2ALOX15CAPN1KDM4E
SCHEMBL14734507 0.61 GRIN2B (0.49) ESR1ESR2
SCHEMBL16902819 0.61 GRIN2B (0.49) ESR1ESR2

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-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed