SCHEMBL8906391

SCHEMBL8906391

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
P2RX7 Q99572 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8906506 0.92 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL8906891 0.89 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KMT2AGAAPOLB
SCHEMBL8907390 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AGAAPOLB
SCHEMBL8905521 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AGAAPOLB
SCHEMBL8907162 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AGAAPOLB
SCHEMBL6482527 0.85 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2APOLBNPC1
SCHEMBL8906830 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AGAAPOLB
SCHEMBL8906367 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AGAAPOLB
SCHEMBL6771746 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2APOLBNPC1
SCHEMBL8906757 0.81 KMT2A (0.48) ALDH1A1SMN1; SMN2KMT2APOLBLMNA

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