SCHEMBL9280378

SCHEMBL9280378

CC#COc1ccc(C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.39
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TYR P14679 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
FFAR1 O14842 1/20 0.34
FKBP1A P62942 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL12743136 0.86 PRSS1 (0.36) PRSS1ACRMEN1KMT2ARAB9A
SCHEMBL2783392 0.83 MMP1 (0.47) MMP1ALDH1A1
SCHEMBL8037507 0.81 MMP1 (0.41) MMP1FFAR1
SCHEMBL12743138 0.78 ALDH1A1 (0.36) PRSS1ACRMEN1KMT2ARAB9A
SCHEMBL30692452 0.77 MAOA (0.43) MMP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL30692449 0.77 MAOA (0.43) MMP1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL2092420 0.76 RAB9A (0.42) PRSS1ACRMEN1KMT2ARAB9A
SCHEMBL17914475 0.76 PYCR1 (0.39) MEN1KMT2ARAB9AHPGDXBP1
SCHEMBL27657818 0.76 MEN1 (0.38) MEN1KMT2ARAB9AHPGDIDO1
SCHEMBL12743133 0.75 ALDH1A1 (0.35) PRSS1ACRMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407341-B1 Selective herbicidal agent CIBA GEIGY AG (CH) 1995-12-06 EP claimed