SCHEMBL8993207

SCHEMBL8993207

COC(=O)c1ccc(Cc2cccc(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.55
LOXL2 Q9Y4K0 2/20 0.54
HSP90AA1 P07900 1/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
HDAC1 Q13547 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
PDE4D Q08499 1/20 0.47
DRD2 P14416 1/20 0.47
TBXA2R P21731 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 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
SCHEMBL7411710 0.84 NPC1 (0.60) LOXL2CA1CA2CA12CA9
SCHEMBL481113 0.83 LOXL2 (0.56) LOXL2CA1CA2HDAC1CA12
SCHEMBL8993120 0.83 MAPT (0.56) LOXL2CA1CA2CA12CA9
SCHEMBL6158387 0.82 TSHR (0.67) LOXL2CA1CA2CA12CA9
SCHEMBL9938980 0.82 KMT2A (0.56) LOXL2CA1CA2CA12CA9
SCHEMBL481205 0.82 LOXL2 (0.54) LOXL2CA1CA2HDAC1CA12
SCHEMBL8993024 0.82 MTNR1A (0.60) LOXL2CA1CA2HDAC1POLB
SCHEMBL69454 0.82 LOXL2 (0.70) LOXL2CA1CA2CA12CA9
SCHEMBL694212 0.80 KMT2A (0.53) PTGER4LOXL2DRD2TBXA2R
SCHEMBL12471938 0.79 HDAC1 (0.71) LOXL2CA1CA2HDAC1CA12

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-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed