SCHEMBL15553081

SCHEMBL15553081

Cc1c(C(C)C)ccc(O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ TRPA1 O75762 2/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ GABRA1 P14867 4/20 0.41
▸ GABRB2 P47870 3/20 0.41
▸ GABRB1 P18505 2/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GABRG2 P18507 1/20 0.38

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
SCHEMBL29849603 0.79 LMNA (0.52) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL5394172 0.79 LMNA (0.52) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL13898976 0.77 SRC (0.36) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL15011592 0.77 LMNA (0.50) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL13202844 0.77 LMNA (0.38) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL20711666 0.77 LMNA (0.41) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL3792759 0.76 MAPK1 (0.50) HTR2BTRPA1CHRM1ADRA1ACYP3A4
SCHEMBL31438162 0.76 LMNA (0.48) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL1487374 0.76 LMNA (0.48) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL12380944 0.76 GABRA1 (0.46) LMNASLC6A2HTR2BTRPA1CHRM1

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
WO-2014001057-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2014-01-03 — — WO disclosed
Send feedback