SCHEMBL8907230

SCHEMBL8907230

COC(=O)C1(NC(=O)Cc2c(Cl)cccc2Cl)CCCC(C)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
P2RX7 Q99572 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
IL1B P01584 6/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8906510 0.93 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6483565 0.93 KMT2A (0.39) KMT2AP2RX7SMN1; SMN2ALDH1A1GAA
SCHEMBL8906721 0.89 KMT2A (0.48) KMT2AP2RX7SIGMAR1ALDH1A1TRPV1
SCHEMBL8907206 0.86 KMT2A (0.50) KMT2AP2RX7SMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL6474515 0.84 LPAR1 (0.42) KMT2AP2RX7SMN1; SMN2ALDH1A1GAA
SCHEMBL8905909 0.82 ALDH1A1 (0.49) KMT2AP2RX7SMN1; SMN2ALDH1A1NPC1
SCHEMBL8906817 0.82 KMT2A (0.41) KMT2AP2RX7SIGMAR1ALDH1A1TRPV1
SCHEMBL8653874 0.81 P2RX7 (0.36) P2RX7ALDH1A1NPC1RAB9ATRPV1
SCHEMBL8907276 0.81 MAPT (0.34) P2RX7ALDH1A1GAA
SCHEMBL811969 0.81 SLC6A3 (0.33) SMN1; SMN2ALDH1A1

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