SCHEMBL7960049

SCHEMBL7960049

COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2OC)CCC(C)C(C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL8906207 0.92 P2RX7 (0.32) LPAR1GAAKDM4E
SCHEMBL7959967 0.92 LPAR1 (0.39) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7949977 0.88 GAA (0.37) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7957870 0.87 LPAR1 (0.35) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7960343 0.86 HPGD (0.34) LPAR1KMT2AALDH1A1HPGD
SCHEMBL8795394 0.85 SMN1; SMN2 (0.34) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7960880 0.85 LPAR1 (0.34) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7964600 0.84 LPAR1 (0.33) LPAR1MEN1KMT2ANPC1RAB9A
SCHEMBL7961784 0.83 MAPT (0.36) LPAR1ALDH1A1
SCHEMBL7964520 0.83 S1PR5 (0.33) LPAR1MEN1KMT2ANPC1RAB9A

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-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed