SCHEMBL7253175

SCHEMBL7253175

CCCCOC=COCCOCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL10027324 1.00 TSHR (0.36) TSHRCYP3A4ALDH1A1ADRB2ADRB1
SCHEMBL8724684 0.84 ADRB2 (0.45) TSHRCYP3A4ALDH1A1ADRB2ADRB1
SCHEMBL8724680 0.84 ADRB2 (0.45) TSHRCYP3A4ALDH1A1ADRB2ADRB1
SCHEMBL968217 0.82 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL968216 0.82 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL28910378 0.82 TSHR (0.36) TSHRCYP3A4ALDH1A1ADRB2ADRB1
SCHEMBL4464674 0.80 ALDH1A1 (0.38) TSHRALDH1A1THRB
SCHEMBL14724824 0.79 ADRB2 (0.41) TSHRCYP3A4ADRB2ADRB1ADRB3
SCHEMBL11918809 0.78 CYP3A4 (0.37) TSHRCYP3A4ALDH1A1ADRB2ADRB1
SCHEMBL20239708 0.77 TSHR (0.33) TSHRCYP3A4ALDH1A1ADRB2ADRB1

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-6642306-B1 In situ addition polymerization in the presence of azocarboxylic acid ester initiator ATOFINA (FR) 2003-11-04 US disclosed