SCHEMBL9467136

SCHEMBL9467136

NCCc1ccc(Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ALDH1A1 P00352 2/20 0.50
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
RARB P10826 4/20 0.49
TSHR P16473 2/20 0.49
TAAR1 Q96RJ0 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR3A P46098 1/20 0.48
BACE1 P56817 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
Terephthalic Acid SCHEMBL8743595 0.94 ALDH1A1 (0.56) ALDH1A1RARBTSHRTAAR1KDM4E
SCHEMBL589884 0.94 ALDH1A1 (0.56) ALDH1A1RARBTSHRTAAR1KDM4E
SCHEMBL11464670 0.92 ALDH1A1 (0.54) ALDH1A1RARBTSHRTAAR1KDM4E
Bromide SCHEMBL28688593 0.92 ALDH1A1 (0.54) ALDH1A1RARBTSHRTAAR1KDM4E
Hydrochloric Acid SCHEMBL872073 0.92 KMT2A (0.56) ALDH1A1RARBTSHRTAAR1KDM4E
Aminomethylbenzoic Acid SCHEMBL8000841 0.88 ALDH1A1 (0.50) ALDH1A1RARBTSHRTAAR1KDM4E
Sulfuric Acid SCHEMBL7321645 0.86 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL68390 0.85 SRD5A2 (0.69) SRD5A2CA12CA1CA2CA9
SCHEMBL6864579 0.83 TSHR (0.61) SRD5A2CA12CA1CA2CA9
SCHEMBL26112100 0.83 SRD5A2 (0.58) SRD5A2CA12CA1CA2CA9

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-5232946-A Promoting weight gain and reduction of blood sugar and fat deposits in animals, feed efficiency DR. KARL THOMAE GMBH (DE) 1993-08-03 US disclosed