SCHEMBL22397290

SCHEMBL22397290

CC1=CC(C)C(C)CC1.CC1=CC(C)C(C=O)C(C)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
APOBEC3A P31941 2/20 0.32
APOBEC3G Q9HC16 2/20 0.32
TAS2R46 P59540 2/20 0.30

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
SCHEMBL24496767 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL456066 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL4419264 0.88 ALDH1A1 (0.32) ALDH1A1KDM4ESMN1; SMN2GLAGAA
SCHEMBL716501 0.78
SCHEMBL314360 0.77 ALDH1A1 (0.33) ALDH1A1KDM4ESMN1; SMN2GLAGAA
Formaldehyde SCHEMBL27746567 0.77 TAS2R46 (0.37) ALDH1A1LMNAPOLBTAS2R46
SCHEMBL3390915 0.70 TRPA1 (0.33) APOBEC3AAPOBEC3G
SCHEMBL3390910 0.70 TRPA1 (0.33) APOBEC3AAPOBEC3G
SCHEMBL717531 0.70
SCHEMBL21175066 0.70 ALDH1A1 (0.32) ALDH1A1LMNAPOLBTAS2R46

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-3703765-A1 APPARATUS AND METHOD FOR REDUCING MALODOR ON SURFACES The Procter and Gamble Company (US) 2020-09-09 EP claimed