SCHEMBL7987634

SCHEMBL7987634

Oc1cc2c(cc1O)C(Cc1ccccc1)c1c-2ccc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.39
IDH1 O75874 1/20 0.37
PGR P06401 1/20 0.36
DRD1 P21728 3/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
SRC P12931 2/20 0.33
KDM1A O60341 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL7987343 0.85 HTR2A (0.38) PGRDRD1BCL2ALOX15
SCHEMBL7981259 0.84 ADRB2 (0.46) ADRB2IDH1PGRDRD1BCL2
SCHEMBL7983280 0.74 CYP19A1 (0.39) BCL2ALOX15
SCHEMBL7970072 0.71 KDM1A (0.46) IGF1RALOX15KDM1ADRD2
SCHEMBL30779227 0.69 HTR2A (0.40) BCL2L1
SCHEMBL7970224 0.68 CYP19A1 (0.41)
SCHEMBL23551067 0.67 BCL2 (0.42) ADRB2IDH1DRD1BCL2BCL2L1
SCHEMBL9816167 0.66 HTR2A (0.40) BCL2ALOX15
SCHEMBL7980288 0.64 KCNH2 (0.47) ALOX15KCNH2
SCHEMBL940915 0.63 MAOB (0.41) PGRIGF1RALOX15KCNH2PRKACA

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
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed