SCHEMBL3515867

SCHEMBL3515867

CCCCCC(OCC)(OCC)Oc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.43
CNR2 P34972 6/20 0.43
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
JAK2 O60674 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 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
SCHEMBL16005745 0.80 CNR1 (0.44) CNR1CNR2CA1CA2TP53
SCHEMBL148644 0.78 CNR1 (0.45) CNR1CNR2CA1CA2TP53
SCHEMBL27980996 0.75 CNR1 (0.48) CNR1CNR2CA1CA2TP53
SCHEMBL27980653 0.74 CNR1 (0.50) CNR1CNR2MAPT
Guaiacol SCHEMBL1907793 0.74 TP53 (0.51) CNR1CNR2CA1CA2TP53
SCHEMBL8227402 0.71 L3MBTL1 (0.45) TSHRLMNAMAPT
SCHEMBL28735617 0.70 TSHR (0.45) CNR1CNR2CA1CA2TP53
SCHEMBL5587731 0.70 ALDH1A1 (0.44) CNR1CNR2TP53LMNAMAPT
SCHEMBL11237533 0.70 TSHR (0.37) TSHRMAPT
SCHEMBL27980771 0.70 CNR1 (0.43) CNR1CNR2CA1CA2TP53

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-8765688-B2 Anti-dandruff compositions containing peptides BASF SE (DE) 2014-07-01 US disclosed
US-20100310644-A1 ANTI-DANDRUFF COMPOSITIONS CONTAINING PEPTIDES BASF ,Trademarks and Licenses (DE) 2010-12-09 US disclosed