SCHEMBL9680703

SCHEMBL9680703

CCC(C(=O)C(CC)c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.43
ALOX5 P09917 1/20 0.43
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9680223 0.94 CYP1A2 (0.44) CYP1A2KMT2ARAB9AALOX5LMNA
SCHEMBL6766 0.88 KMT2A (0.53) CYP1A2KMT2ALMNAHSD17B10GAA
SCHEMBL25377657 0.88 KMT2A (0.53) CYP1A2KMT2ALMNAHSD17B10GAA
SCHEMBL2720268 0.86 ALOX5 (0.47) CYP1A2KMT2ARAB9AALOX5
SCHEMBL10443280 0.84 KMT2A (0.43) CYP1A2KMT2ARAB9AALOX5LMNA
SCHEMBL11785517 0.84 CA1 (0.44) CYP1A2KMT2ARAB9AALOX5LMNA
SCHEMBL9679404 0.83 KMT2A (0.46) CYP1A2KMT2AALOX5SMN1; SMN2
SCHEMBL6293 0.83 MAPT (0.46) CYP1A2KMT2ARAB9ALMNAGAA
SCHEMBL18129416 0.83 CYP1A2 (0.44) CYP1A2KMT2AALOX5
SCHEMBL27835623 0.81 KMT2A (0.41) CYP1A2KMT2ARAB9AALOX5LMNA

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
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US 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