SCHEMBL8736702

SCHEMBL8736702

CCCCCCCCCCC[CH]CCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.42
FAAH O00519 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
DNM1 Q05193 3/20 0.39
EP300 Q09472 1/20 0.37
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 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
SCHEMBL7866732 1.00 TSHR (0.52) TSHRALDH1A1TDP1THRBFAAH
SCHEMBL28061363 1.00 TSHR (0.52) TSHRALDH1A1TDP1THRBFAAH
SCHEMBL11425956 1.00 TSHR (0.52) TSHRALDH1A1TDP1THRBFAAH
SCHEMBL10756411 0.97
SCHEMBL8734013 0.90 TSHR (0.68) TSHRALDH1A1TDP1THRBFAAH
SCHEMBL10687324 0.90 TSHR (0.68) TSHRALDH1A1TDP1THRBFAAH
SCHEMBL8922111 0.89
SCHEMBL25174145 0.86 TSHR (0.58) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL25176521 0.86 TSHR (0.58) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL25171013 0.86 TSHR (0.58) TSHRTHRBFAAHTRPV1DNM1

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
EP-0830390-A1 HYDROPHOBIC HETEROATOM-CONTAINING SEQUESTRANT FOR CHOLESTEROL DEPLETION GELTEX PHARMACEUTICALS, INC. (US) 1998-03-25 EP disclosed
WO-1996039449-A1 HYDROPHOBIC HETEROATOM-CONTAINING SEQUESTRANT FOR CHOLESTEROL DEPLETION GELTEX PHARMACEUTICALS, INC. (US) 1996-12-12 WO disclosed