SCHEMBL8905439

SCHEMBL8905439

CC1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.50
SHMT2 P34897 2/20 0.50
SIGMAR1 Q99720 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
P2RX7 Q99572 8/20 0.42
KMT2A Q03164 1/20 0.42
ERCC1 P07992 3/20 0.42
ERCC4 Q92889 3/20 0.42
EPHX2 P34913 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41

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
SCHEMBL8654464 0.91 SHMT1 (0.45) SHMT1SHMT2SIGMAR1TRPV1P2RX7
SCHEMBL8657000 0.89 SHMT1 (0.40) SHMT1SHMT2SIGMAR1TRPV1P2RX7
SCHEMBL8905510 0.88 TRPV1 (0.44) SIGMAR1TRPV1P2RX7KMT2AERCC1
SCHEMBL8906080 0.88 SHMT1 (0.48) SHMT1SHMT2SIGMAR1P2RX7KMT2A
SCHEMBL8907367 0.88 SHMT1 (0.48) SHMT1SHMT2SIGMAR1TRPV1P2RX7
SCHEMBL8906957 0.87 SHMT1 (0.47) SHMT1SHMT2SIGMAR1P2RX7KMT2A
SCHEMBL8907184 0.87 SHMT1 (0.45) SHMT1SHMT2SIGMAR1TRPV1P2RX7
SCHEMBL8906430 0.87 SIGMAR1 (0.49) SHMT1SHMT2SIGMAR1P2RX7EPHX2
SCHEMBL6480025 0.86 GAA (0.44) SHMT1SHMT2KMT2A
SCHEMBL8907413 0.86 SHMT1 (0.48) SHMT1SHMT2SIGMAR1TRPV1P2RX7

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