SCHEMBL8907284

SCHEMBL8907284

COC(=O)C1(NC(=O)Cc2ccc(Cl)cc2Cl)CCC(C)C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
P2RX7 Q99572 8/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL8650846 0.91 P2RX7 (0.38) RECQLP2RX7KMT2AMEN1
SCHEMBL8655537 0.91 P2RX7 (0.40) P2RX7ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL6480022 0.90 P2RX7 (0.42) RECQLP2RX7SIGMAR1ALDH1A1KMT2A
SCHEMBL6474508 0.90 MEN1 (0.40) KMT2AMEN1
SCHEMBL8907184 0.89 SHMT1 (0.45) P2RX7SIGMAR1KMT2ATRPV1ERCC1
SCHEMBL8905510 0.88 TRPV1 (0.44) RECQLP2RX7SIGMAR1ALDH1A1KMT2A
SCHEMBL8906817 0.86 KMT2A (0.41) RECQLP2RX7SIGMAR1ALDH1A1KMT2A
SCHEMBL8905777 0.84 KMT2A (0.44) RECQLP2RX7SIGMAR1ALDH1A1KMT2A
SCHEMBL8906981 0.84 RECQL (0.42) RECQLP2RX7SIGMAR1ALDH1A1KMT2A
SCHEMBL29218412 0.83 KMT2A (0.46) RECQLP2RX7ALDH1A1KMT2AMEN1

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-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed