SCHEMBL4662070

SCHEMBL4662070

C=CCC1(COC(=O)O)CCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28786559 0.84 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL29007925 0.79 ALOX15 (0.30)
SCHEMBL15847736 0.77 USP2 (0.39) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL1244090 0.77 USP2 (0.36) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL225199 0.76 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBUSP2
Cyclohexane SCHEMBL2128316 0.76 USP2 (0.38) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL17791664 0.76 USP2 (0.38) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL1243338 0.75 USP2 (0.34) ALDH1A1USP2LMNACYP1A2TSHR
SCHEMBL9341377 0.74 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APOLBUSP2
SCHEMBL9343078 0.74 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APOLBUSP2

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
EP-1698684-B1 Alkyl cycloheptylmethyl carbonates and perfume compositions KAO CORP (JP) 2008-05-14 EP disclosed
EP-1698684-A1 Alkyl cycloheptylmethyl carbonates and perfume compositions Kao Corporation (JP) 2006-09-06 EP disclosed