SCHEMBL8906506

SCHEMBL8906506

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
SIGMAR1 Q99720 1/20 0.43
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SHMT1 P34896 2/20 0.39
SHMT2 P34897 2/20 0.39
ATM Q13315 1/20 0.38
P2RX7 Q99572 3/20 0.37
ACKR3 P25106 1/20 0.37
RECQL P46063 1/20 0.36
CXCR5 P32302 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ANO1 Q5XXA6 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
SCHEMBL8906391 0.92 ALDH1A1 (0.51) KMT2AALDH1A1P2RX7SMN1; SMN2LMNA
SCHEMBL6482527 0.90 KMT2A (0.41) KMT2ASIGMAR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8906757 0.88 KMT2A (0.48) KMT2ASIGMAR1AKR1B1ALDH1A1ATM
SCHEMBL8905949 0.88 KMT2A (0.52) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL8906824 0.84 KMT2A (0.49) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL8907116 0.84 KMT2A (0.49) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL8907213 0.83 KMT2A (0.50) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL8906049 0.82 KMT2A (0.49) KMT2ASIGMAR1AKR1B1ALDH1A1SHMT1
SCHEMBL6482255 0.81 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8906891 0.81 SMN1; SMN2 (0.50) KMT2AALDH1A1P2RX7SMN1; SMN2LMNA

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