SCHEMBL5204429

SCHEMBL5204429

CC(C)(C)c1cc(C(O[PH](=O)O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
TNFRSF1A P19438 1/20 0.40
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
PTGS2 P35354 3/20 0.36
ALOX5 P09917 2/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL6905650 0.80 KCNN4 (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3167685 0.79 CRHBP (0.41) MEN1KMT2ACYP3A4CYP2C9TSHR
SCHEMBL698499 0.78 CA2 (0.45) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL104553 0.75 CA2 (0.42) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL11610528 0.73 GABRA1 (0.36) CYP2C19ALDH1A1MAPTALOX15
SCHEMBL3235680 0.72 ALDH1A1 (0.55) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL2858798 0.72 ESR1 (0.55) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL8825818 0.72 KIF11 (0.43) MEN1KMT2AGAASMN1; SMN2ALDH1A1
Biphenyl SCHEMBL11848325 0.72 CA2 (0.46) MEN1KMT2AGAACYP1A2CYP3A4
SCHEMBL3887649 0.71 ALDH1A1 (0.45) KMT2ACYP1A2CYP3A4TSHRCYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786883-A1 ORGANIC SOLID SELF-SUPPORTED ELECTROCHROMIC MATERIAL Consorzio Per Le Tecnologie Biomediche Avanzate Tebaid (IT) 2007-05-23 EP claimed
WO-2006008776-A1 ORGANIC SOLID SELF-SUPPORTED ELECTROCHROMIC MATERIAL TEBAID-CONSORZIO PER LE TECNOLOGIE AVANZATE (IT) 2006-01-26 WO claimed
EP-1786883-A1 ORGANIC SOLID SELF-SUPPORTED ELECTROCHROMIC MATERIAL Consorzio Per Le Tecnologie Biomediche Avanzate Tebaid (IT) 2007-05-23 EP disclosed
WO-2006008776-A1 ORGANIC SOLID SELF-SUPPORTED ELECTROCHROMIC MATERIAL TEBAID-CONSORZIO PER LE TECNOLOGIE AVANZATE (IT) 2006-01-26 WO disclosed
US-4145333-A POLYPHOSPHONATES OR PHOSPHONATE COMPOUNDS ARGUS CHEMICAL CORPORATION (US) 1979-03-20 US disclosed