SCHEMBL8907367

SCHEMBL8907367

CC(C)(C)C1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.48
SHMT2 P34897 2/20 0.48
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
ACKR3 P25106 1/20 0.42
P2RX7 Q99572 7/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40
EPHX2 P34913 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL8652410 0.91 SHMT1 (0.43) SHMT1SHMT2KMT2ASIGMAR1P2RX7
SCHEMBL8653109 0.90 SHMT1 (0.39) SHMT1SHMT2KMT2ASIGMAR1ACKR3
SCHEMBL8905777 0.89 KMT2A (0.44) KMT2ASIGMAR1ACKR3P2RX7ALDH1A1
SCHEMBL8905439 0.88 SHMT1 (0.50) SHMT1SHMT2KMT2ASIGMAR1P2RX7
SCHEMBL6474818 0.87 MEN1 (0.41) SHMT1SHMT2KMT2ASIGMAR1P2RX7
SCHEMBL6475325 0.87 MEN1 (0.41) SHMT1SHMT2KMT2AKDM4E
SCHEMBL8906080 0.86 SHMT1 (0.48) SHMT1SHMT2KMT2ASIGMAR1P2RX7
SCHEMBL8906957 0.85 SHMT1 (0.47) SHMT1SHMT2KMT2ASIGMAR1P2RX7
SCHEMBL8906430 0.83 SIGMAR1 (0.49) SHMT1SHMT2SIGMAR1P2RX7ALDH1A1
SCHEMBL8907184 0.83 SHMT1 (0.45) SHMT1SHMT2KMT2ASIGMAR1P2RX7

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