SCHEMBL10523697

SCHEMBL10523697

CCC=C(C)C(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KIF11 P52732 1/20 0.49
LMNA P02545 2/20 0.48
EPHX1 P07099 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 1/20 0.46
EGFR P00533 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL10523694 1.00 SMN1; SMN2 (0.50) SMN1; SMN2HPGDRAB9ANPC1CRHBP
SCHEMBL12853889 0.82 KIF11 (0.50) SMN1; SMN2HPGDRAB9ANPC1CRHBP
SCHEMBL1160496 0.81 NAPRT (0.52) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL1160495 0.81 NAPRT (0.52) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL10617040 0.80 RORC (0.44) SMN1; SMN2HPGDRAB9ANPC1LMNA
SCHEMBL10617033 0.80 RORC (0.44) SMN1; SMN2HPGDRAB9ANPC1LMNA
SCHEMBL11096463 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HPGDRAB9ANPC1CRHBP
SCHEMBL19501286 0.79 NPC1 (0.57) SMN1; SMN2RAB9ANPC1L3MBTL1LMNA
SCHEMBL20118775 0.77 F2 (0.63)
SCHEMBL10824999 0.77 NPC1 (0.39) SMN1; SMN2HPGDRAB9ANPC1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61037704-A None JP disclosed
EP-0205271-B1 N-(3-CHLORO-4-ISOPROPYLPHENYL)CARBOXAMIDES, PROCESS FOR PRODUCING THEM, AND SELECTIVE HERBICIDES CONTAINING THEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-02-01 EP disclosed
US-4749812-A N-(3-chloro-4-isopropylphenyl) carboxamide derivative and selective herbicide MITSUI TOATSU CHEMICALS, INC. (JP) 1988-06-07 US disclosed
JP-S6137704-A MIXED HERBICIDE MITSUI TOATSU CHEM INC 1986-02-22 JP disclosed
JP-S06137704-A 0001-01-01 JP disclosed