SCHEMBL9757873

SCHEMBL9757873

CCC(C)(C)Oc1cccc(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPM4 Q8TD43 1/20 0.40
PPARA Q07869 2/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
PLAU P00749 1/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL9850282 0.85 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL9700024 0.78 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL11296801 0.77 L3MBTL1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL17929073 0.76 TSHR (0.39) TDP1RXRARXRBRXRGKDM4E
SCHEMBL15457980 0.76 KDM4E (0.51) TDP1L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL10535275 0.75 ALDH1A1 (0.55) TDP1L3MBTL1PLAUKDM4EALDH1A1
SCHEMBL426616 0.74 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL7152724 0.74 ELANE (0.51) CA12CA1CA2CA7CA9
SCHEMBL9515089 0.74 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28026161 0.74 CA12 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049685-A Nuclear substituted salicylic acids and their salts SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1991-09-17 US disclosed
EP-0370389-A2 Nuclear substituted salicylic acids and their salts Sanko Kaihatsu Kagaku Kenkyusho (JP) 1990-05-30 EP disclosed