SCHEMBL8099178

SCHEMBL8099178

O=C1C(O)CCCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
NOTUM Q6P988 1/20 0.49
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
ALOX5 P09917 1/20 0.48
CYP17A1 P05093 1/20 0.46
HTR7 P34969 2/20 0.46

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
SCHEMBL7611284 0.92 CA12 (0.55) POLBCA12CA1CA2CA9
SCHEMBL7607804 0.92 CA12 (0.55) POLBCA12CA1CA2CA9
SCHEMBL7610183 0.92 CA12 (0.55) POLBCA12CA1CA2CA9
SCHEMBL5827040 0.84 CA12 (0.57) POLBCA12CA1CA2CA9
SCHEMBL8788725 0.79 CA12 (0.57) POLBCA12CA1CA2CA9
SCHEMBL8563716 0.79 CA12 (0.54) POLBCA12CA1CA2CA9
SCHEMBL965009 0.79 CA12 (0.54) POLBCA12CA1CA2CA9
SCHEMBL3984910 0.79 KMT2A (0.47) POLBCA12CA1CA2CA9
SCHEMBL1010118 0.78 CA12 (0.51) POLBCA12CA1CA2CA9
SCHEMBL8090399 0.78 CA12 (0.46) POLBCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed