SCHEMBL8907413

SCHEMBL8907413

CC1CCCC(NC(=O)Cc2ccc(Cl)cc2Cl)(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 2/20 0.48
SHMT2 P34897 2/20 0.48
SIGMAR1 Q99720 2/20 0.43
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
P2RX7 Q99572 7/20 0.40
ACKR3 P25106 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39

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
SCHEMBL8653800 0.91 SHMT1 (0.43) SHMT1SHMT2SIGMAR1KMT2AP2RX7
SCHEMBL8652082 0.90 SHMT1 (0.38) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL8906817 0.89 KMT2A (0.41) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL6482463 0.88 MEN1 (0.42) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL6475688 0.88 MEN1 (0.42) SHMT1SHMT2KMT2A
SCHEMBL8905439 0.86 SHMT1 (0.50) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL8907184 0.86 SHMT1 (0.45) SHMT1SHMT2SIGMAR1KMT2AEPHX2
SCHEMBL8651345 0.82 P2RX7 (0.39) SHMT1SHMT2KMT2AP2RX7
SCHEMBL8906307 0.81 LPAR1 (0.39) SHMT1SHMT2P2RX7
SCHEMBL8906721 0.81 KMT2A (0.48) SHMT1SHMT2SIGMAR1KMT2ATRPV1

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