SCHEMBL8906757

SCHEMBL8906757

CCC1CCC(NC(=O)Cc2c(Cl)cccc2Cl)(C(=O)OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.36
AKR1B1 P15121 1/20 0.36
P2RX7 Q99572 3/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL6482255 0.92 KMT2A (0.41) KMT2ASMN1; SMN2ALDH1A1LMNATHRB
SCHEMBL8906891 0.92 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2ALDH1A1P2RX7LMNA
SCHEMBL8906506 0.88 KMT2A (0.50) KMT2ASMN1; SMN2SIGMAR1ALDH1A1ATM
SCHEMBL8907206 0.88 KMT2A (0.50) KMT2ASMN1; SMN2SIGMAR1ALDH1A1ATM
SCHEMBL8906958 0.85 KMT2A (0.47) KMT2ASMN1; SMN2SIGMAR1ALDH1A1ATM
SCHEMBL8907366 0.84 KMT2A (0.46) KMT2ASMN1; SMN2SIGMAR1ALDH1A1ATM
SCHEMBL6482527 0.84 KMT2A (0.41) KMT2ASMN1; SMN2SIGMAR1ALDH1A1LMNA
SCHEMBL6765259 0.81 ALDH1A1 (0.47) KMT2ASMN1; SMN2SIGMAR1ALDH1A1ATM
SCHEMBL6483516 0.81 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1LMNATHRB
SCHEMBL8905502 0.81 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2ALDH1A1P2RX7LMNA

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