SCHEMBL14399226

SCHEMBL14399226

CCC(CC)CCOC(=O)c1ccc(OC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ LMNA P02545 5/20 0.45
▸ TSHR P16473 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ ESR1 P03372 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ RNASEL Q05823 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ELANE P08246 2/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CHRM1 P11229 1/20 0.44

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
SCHEMBL14399224 0.85 SMN1; SMN2 (0.55) KMT2AMAPTMAPK1PKMLMNA
SCHEMBL10423302 0.83 HSD17B10 (0.50) KMT2AMAPTHSD17B10MAPK1PKM
SCHEMBL4644691 0.83 ALDH1A1 (0.64) KMT2AMAPTHSD17B10MAPK1LMNA
SCHEMBL516632 0.81 ESR1 (0.68) KMT2AMAPTMAPK1LMNATSHR
SCHEMBL10423598 0.81 HSD17B10 (0.58) KMT2AMAPTHSD17B10MAPK1PKM
SCHEMBL9628197 0.81 MAPT (0.52) KMT2AMAPTHSD17B10MAPK1PKM
SCHEMBL9628186 0.81 MAPT (0.52) KMT2AMAPTHSD17B10MAPK1PKM
SCHEMBL9446645 0.81 LMNA (0.57) KMT2AMAPTHSD17B10MAPK1LMNA
SCHEMBL20987320 0.80 MAPT (0.63) KMT2AMAPTMAPK1LMNATSHR
SCHEMBL9636428 0.80 TSHR (0.50) KMT2AMAPTMAPK1LMNATSHR

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
US-7276324-B2 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-10-02 — — US disclosed
Send feedback