SCHEMBL8907162

SCHEMBL8907162

CC(C)C1CCC(NC(=O)Cc2c(F)cccc2Cl)(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
P2RX7 Q99572 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL8907116 0.92 KMT2A (0.49) ALDH1A1SMN1; SMN2KMT2ALMNAPOLB
SCHEMBL8906884 0.90 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2KMT2AGAANPC1
SCHEMBL8907390 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AGAANPC1
SCHEMBL8906391 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AGAANPC1
SCHEMBL6475232 0.85 KMT2A (0.40) ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL8905521 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AGAANPC1
SCHEMBL8906830 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AGAANPC1
SCHEMBL8906367 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AGAANPC1
SCHEMBL8906958 0.81 KMT2A (0.47) ALDH1A1SMN1; SMN2KMT2ALMNAPOLB
SCHEMBL6771746 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A

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