SCHEMBL8907216

SCHEMBL8907216

CC1CCCCC1(NC(=O)Cc1c(F)cccc1Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 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
SCHEMBL8907337 0.92 KMT2A (0.49) ALDH1A1KMT2AGAAMEN1RAB9A
SCHEMBL8907736 0.90 SMN1; SMN2 (0.49) ALDH1A1KMT2AGAASMN1; SMN2MAPT
SCHEMBL6475239 0.85 KMT2A (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL8907139 0.81 KMT2A (0.47) ALDH1A1KMT2AGAASMN1; SMN2MEN1
SCHEMBL8907390 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AGAASMN1; SMN2MAPT
SCHEMBL8905909 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AGAASMN1; SMN2MAPT
SCHEMBL6483262 0.77 KMT2A (0.40) ALDH1A1KMT2AGAASMN1; SMN2MEN1
SCHEMBL8906367 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AGAASMN1; SMN2MAPT
SCHEMBL8907562 0.76 SIGMAR1 (0.44) KMT2A
SCHEMBL8650736 0.75 NPC1 (0.38) KMT2AMAPTNPC1RAB9APOLB

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