SCHEMBL9341808

SCHEMBL9341808

CC(C)(C)OC(=O)c1ccc(/C=C\c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MAPT P10636 3/20 0.44
PTPN1 P18031 1/20 0.43
CYP1B1 Q16678 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9338508 1.00 RECQL (0.50) RECQLSMN1; SMN2RAB9ANPC1MAOB
SCHEMBL9678821 1.00 RECQL (0.50) RECQLSMN1; SMN2RAB9ANPC1MAOB
SCHEMBL9338284 0.91 CA1 (0.51) NPC1CA12CA1CA2CA9
SCHEMBL9805541 0.91 CA1 (0.51) NPC1CA12CA1CA2CA9
SCHEMBL9339908 0.91 CA1 (0.51) NPC1CA12CA1CA2CA9
SCHEMBL11858178 0.91 CA1 (0.51) NPC1CA12CA1CA2CA9
SCHEMBL11858186 0.91 CA1 (0.51) NPC1CA12CA1CA2CA9
SCHEMBL277667 0.89 CA1 (0.53) RECQLSMN1; SMN2RAB9ANPC1CA12
SCHEMBL9805467 0.85 HDAC1 (0.51) RAB9ANPC1MAOBCA12CA1
SCHEMBL14967548 0.85 HDAC1 (0.51) RAB9ANPC1MAOBCA12CA1

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
EP-0391212-B1 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1994-05-25 EP disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
EP-0391212-A2 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1990-10-10 EP disclosed