SCHEMBL16301950

SCHEMBL16301950

C=Cc1ccc(CC(C)(P)CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ESR1 P03372 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
ESR2 Q92731 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL6289217 0.81 ALDH1A1 (0.44) ALDH1A1THRATHRBESR1CHRNB2
SCHEMBL1611980 0.78 THRA (0.53) ALDH1A1THRATHRBESR1CHRNB2
SCHEMBL7216235 0.76 ALDH1A1 (0.42) ALDH1A1THRATHRBESR1CHRNB2
SCHEMBL10597489 0.75 ALDH1A1 (0.46) ALDH1A1THRATHRBESR1CHRNB2
SCHEMBL21330385 0.75 ALDH1A1 (0.46) ALDH1A1THRATHRBESR1CHRNB2
SCHEMBL27520515 0.75 SLC6A2 (0.55) ALDH1A1THRATHRBESR1CHRNB2
SCHEMBL24692108 0.74 ALDH1A1 (0.41) ALDH1A1THRATHRBESR1CHRNB2
SCHEMBL21323058 0.74 SLC6A2 (0.52) ALDH1A1
SCHEMBL5199704 0.73 ALDH1A1 (0.44) ALDH1A1THRATHRBESR1CHRNB2
SCHEMBL20341248 0.73 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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
EP-1771548-B1 USE OF DENDRIMERS TO STIMULATE CELL GROWTH CENTRE NAT RECH SCIENT (FR) 2012-06-27 EP disclosed