SCHEMBL16140271

SCHEMBL16140271

Cc1cc(C)cc(C=C(Br)Br)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.35
TPMT P51580 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
ACHE P22303 1/20 0.32
ERN1 O75460 1/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL32667711 0.77 TP53 (0.54) ALDH1A1ACHETP53TDP1
SCHEMBL10831971 0.74 CYP2A6 (0.46) ALDH1A1ACHETDP1
SCHEMBL28516779 0.72 HPGD (0.44) ALDH1A1PRSS1PRSS2PRSS3SELL
SCHEMBL6631552 0.69 ALDH1A1 (0.45) ALDH1A1TSHRTPMTPRSS1PRSS2
SCHEMBL6670819 0.69 TPMT (0.44) ALDH1A1TSHRTPMTERN1
SCHEMBL16289927 0.69 TUBB1 (0.42) ALDH1A1PRSS1PRSS2PRSS3TDP1
SCHEMBL28235567 0.69 ALDH1A1 (0.54) ALDH1A1TSHRTPMTERN1
SCHEMBL6670809 0.69 TPMT (0.44) ALDH1A1TSHRTPMTERN1
SCHEMBL21134688 0.68 GAA (0.33)
SCHEMBL3692947 0.67 ALDH1A1 (0.44) ALDH1A1TSHRTPMTACHETP53

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-20140290745-A1 USE OF COBALT COMPLEXES FOR PREPARING AN ACTIVE LAYER IN A PHOTOVOLTAIC CELL, AND CORRESPONDING PHOTOVOLTAIC CELL UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2014-10-02 US disclosed