SCHEMBL8907110

SCHEMBL8907110

COC(=O)C1(NC(=O)Cc2ccc(Cl)cc2Cl)CCC(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
HPGD P15428 1/20 0.42
P2RX7 Q99572 7/20 0.41
NR3C1 P04150 1/20 0.40
KDM1A O60341 1/20 0.40
RECQL P46063 1/20 0.40
EPHX2 P34913 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2J2 P51589 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
IDO1 P14902 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
SCHEMBL8906430 0.89 SIGMAR1 (0.49) SIGMAR1HPGDP2RX7NR3C1KDM1A
SCHEMBL8905510 0.88 TRPV1 (0.44) SIGMAR1P2RX7RECQL
SCHEMBL8905777 0.84 KMT2A (0.44) SIGMAR1P2RX7RECQL
SCHEMBL8906981 0.84 RECQL (0.42) SIGMAR1P2RX7RECQL
SCHEMBL29218412 0.84 KMT2A (0.46) P2RX7RECQL
SCHEMBL8907031 0.83 P2RX7 (0.41) SIGMAR1P2RX7RECQL
SCHEMBL8907366 0.83 KMT2A (0.46) SIGMAR1NR3C1IDO1
SCHEMBL6764679 0.82 NPC1 (0.41) P2RX7
SCHEMBL8907284 0.81 RECQL (0.41) SIGMAR1P2RX7RECQL
SCHEMBL13938960 0.81 RECQL (0.44) P2RX7RECQL

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