SCHEMBL18488229

SCHEMBL18488229

CN1C2CCCCC[C@H]1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
SHBG P04278 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM5 P08912 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
SCHEMBL20662427 0.97 MAPK1 (0.46) MAPK1LMNACYP2C9GSK3AGSK3B
SCHEMBL24901096 0.97 MAPK1 (0.52) MAPK1LMNACYP2C9GSK3AGSK3B
SCHEMBL22421153 0.97 MAPK1 (0.52) MAPK1LMNACYP2C9GSK3AGSK3B
SCHEMBL7056686 0.93 MAPK1 (0.48) MAPK1LMNACYP2C9GSK3AGSK3B
SCHEMBL278483 0.93 MAPK1 (0.55) MAPK1LMNACYP2C9GSK3AGSK3B
Ammonia Solution, Strong SCHEMBL4433798 0.90 MAPK1 (0.46) MAPK1LMNACYP2C9GSK3AGSK3B
SCHEMBL410993 0.89 MAPK1 (0.57) MAPK1LMNACYP2C9GSK3AGSK3B
SCHEMBL14320158 0.89 MAPK1 (0.57) MAPK1LMNACYP2C9GSK3AGSK3B
SCHEMBL20887798 0.86 ALDH1A1 (0.42) MAPK1LMNACYP2C9GSK3AGSK3B
SCHEMBL19818882 0.86 ALDH1A1 (0.42) MAPK1LMNACYP2C9GSK3AGSK3B

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
WO-2017023777-A9 PRODUCTION SYSTEM/PRODUCTION PROCESS FOR ACRYLIC ACID AND PRECURSORS THEREOF NOVOMER, INC. (US) 2017-10-12 WO disclosed
WO-2017023777-A1 PRODUCTION SYSTEM/PRODUCTION PROCESS FOR ACRYLIC ACID AND PRECURSORS THEREOF NOVOMER, INC. (US) 2017-02-09 WO disclosed