SCHEMBL124518

SCHEMBL124518

CCCCC(c1ccccc1)[n+]1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PLA2G4A P47712 1/20 0.40
RARB P10826 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CNR2 P34972 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
NAAA Q02083 2/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DAO P14920 1/20 0.37
NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL124805 0.91 ALDH1A1 (0.41) POLBPLA2G4AALDH1A1TSHRDAO
SCHEMBL123739 0.85 POLB (0.41) POLBALDH1A1CNR2TSHRNAAA
SCHEMBL124484 0.84 ALDH1A1 (0.43) POLBALDH1A1TSHRCES2CES1
SCHEMBL14802083 0.82 POLB (0.41) POLBALDH1A1
Bromide SCHEMBL10456974 0.81 POLB (0.40) POLBALDH1A1TSHR
Benzoic Acid SCHEMBL871900 0.78 TSHR (0.50) POLBRARBALDH1A1TSHRCYP3A4
SCHEMBL125472 0.75 POLB (0.43) POLBALDH1A1CNR2NAAACA2
SCHEMBL123117 0.75 KMT2A (0.41) ALDH1A1TSHRCES2CES1DAO
Hydrochloric Acid SCHEMBL1072631 0.75 MEN1 (0.42)
Hydrochloric Acid SCHEMBL16144879 0.75 MEN1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143820-B1 An electroless gold plating solution ROHM & HAAS ELECT MAT (US) 2012-03-07 EP disclosed
EP-2143820-A1 An electroless gold plating solution Rohm and Haas Electronic Materials LLC (US) 2010-01-13 EP disclosed
US-7534289-B1 Electroless gold plating solution ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2009-05-19 US disclosed