SCHEMBL9681020

SCHEMBL9681020

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 2/20 0.40
OGG1 O15527 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
HDAC1 Q13547 2/20 0.39
CYP2A6 P11509 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL9679717 0.94 KMT2A (0.41) KMT2AMEN1RAB9ANPC1CES2
SCHEMBL9679720 0.88 CYP1A2 (0.46) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL897098 0.84 KMT2A (0.43) KMT2AMEN1RAB9ANPC1CES2
SCHEMBL3052505 0.84 KMT2A (0.41) KMT2AMEN1RAB9ANPC1CES2
SCHEMBL1141785 0.82 KMT2A (0.63) KMT2AMEN1RAB9ANPC1CES2
SCHEMBL6673950 0.80 KMT2A (0.41) KMT2AMEN1RAB9ANPC1CES2
SCHEMBL6628 0.79 KMT2A (0.49) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL31058225 0.79 RORC (0.42) KMT2AMEN1RAB9ANPC1CES2
SCHEMBL3986556 0.79 MEN1 (0.42) KMT2AMEN1RAB9ANPC1CES2
SCHEMBL7753912 0.78 ESR1 (0.56) KMT2AMEN1RAB9ANPC1MAPT

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
CN-107344918-B Diphenyl ethylene-containing oxime ester compounds and preparation method and application thereof 同济大学 2020-06-16 CN disclosed
CN-107344918-A A kind of oxime ester compound containing talan and its preparation method and application 同济大学 2017-11-14 CN disclosed
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