SCHEMBL8084711

SCHEMBL8084711

O=C(O)c1ccc(-c2c(Cl)cc(O)cc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
EGFR P00533 1/20 0.55
HCAR1 Q9BXC0 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.48
SRD5A2 P31213 3/20 0.47

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
SCHEMBL6257527 0.88 RXRA (0.62) RXRARXRBEGFRHCAR1TSHR
SCHEMBL4651797 0.80 TTR (0.60) RXRARXRBTSHRALOX15SRD5A2
SCHEMBL9623395 0.79 ABL1 (0.50) TTRHSD17B10
SCHEMBL8432994 0.79 CA1 (0.56) EGFRCA12CA1CA2CA7
SCHEMBL10717595 0.78 SRD5A2 (0.66) RXRARXRBEGFRCA12CA1
SCHEMBL11717548 0.77 ESR2 (0.48) EGFRCA12CA1CA2CA9
SCHEMBL14886625 0.77 RXRA (0.53) RXRARXRBTSHRALOX15SRD5A2
SCHEMBL11219580 0.76 TSHR (0.71) RXRARXRBCA12CA1CA2
SCHEMBL670733 0.76 BCL2L1 (0.57) RXRARXRBHCAR1CA12TSHR
SCHEMBL410759 0.74 RXRA (0.66) RXRARXRBEGFRTSHRALOX15

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
EP-0757982-B1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
EP-0757982-A1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-02-12 EP disclosed