SCHEMBL10907778

SCHEMBL10907778

C=C(C)CCc1cccc(Cl)c1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 4/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ EGFR P00533 6/20 0.37
▸ ERBB2 P04626 5/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ TAAR1 Q96RJ0 3/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ PNMT P11086 1/20 0.34

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
SCHEMBL5441358 0.87 IAPP (0.53) IAPPGABRA1GABRB2CA1
SCHEMBL23507040 0.83 TAAR1 (0.50) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2050223 0.81 HSP90AA1 (0.47) HSP90AA1EGFRERBB2GABRA1GABRB2
SCHEMBL10908523 0.81 IAPP (0.68) IAPPEGFRGABRA1GABRB2CA1
SCHEMBL10908033 0.80 IAPP (0.47) IAPPEGFRERBB2GABRA1GABRB2
SCHEMBL1552241 0.77 HSP90AA1 (0.50) IAPPHSP90AA1EGFRERBB2GABRA1
SCHEMBL11077986 0.77 HSP90AA1 (0.53) IAPPHSP90AA1EGFRERBB2GABRA1
SCHEMBL29226127 0.76 ALDH1A1 (0.40) IAPPTAAR1
SCHEMBL29079403 0.75 HSP90AA1 (0.52) IAPPHSP90AA1EGFRERBB2GABRA1
SCHEMBL15319159 0.75 HSP90AA1 (0.52) IAPPHSP90AA1EGFRERBB2GABRA1

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
US-4594460-A Process for selective C-alkylation of phenols RHONE-POULENC SANTE (FR) 1986-06-10 — — US disclosed
Send feedback