SCHEMBL8672011

SCHEMBL8672011

C=CC(C)CCC=C(C)COC(=O)CCC(=O)OCC(C)=CCCC(C)C=C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL7893230 0.88 TRPA1 (0.34) ALOX15TDP1TSHR
SCHEMBL3374536 0.88 ALOX15 (0.33) ALOX15TDP1TSHR
SCHEMBL7893228 0.88 ALOX15 (0.33) ALOX15TDP1TSHR
SCHEMBL10980197 0.87 ALOX15 (0.42) ALOX15TDP1TSHRKDM1APTPN1
SCHEMBL158258 0.87 ALOX15 (0.42) ALOX15TDP1TSHRKDM1APTPN1
SCHEMBL8341380 0.87 ALOX15 (0.32) ALOX15TDP1TSHR
Bromide SCHEMBL8341298 0.85 ALOX15 (0.31) ALOX15TDP1
SCHEMBL8667280 0.84 TSHR (0.36) ALOX15TSHR
SCHEMBL8528618 0.84 ALOX15 (0.34) ALOX15TSHR
Bromide SCHEMBL8341249 0.84 LMNA (0.33) ALOX15

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
US-5830835-A FABRIC SOFTENER, PERFUME ESTER MIXTURES PROCTER & GAMBLE COMPANY (US) 1998-11-03 US disclosed
US-5668102-A SOLID OR LIQUID COMPOSITION CONTAINING CATIONIC QUATERNARY AMMONIUM FABRIC SOFTENING COMPOUND, NONIONIC OR ANIONIC ESTER OF NON-ALLYLIC ALCOHOL PERFUME THE PROCTER & GAMBLE COMPANY (US) 1997-09-16 US disclosed