SCHEMBL9011104

SCHEMBL9011104

COC(C)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
SLC37A4 O43826 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
HDAC8 Q9BY41 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
Ammonia Solution, Strong SCHEMBL27732589 0.98 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL10578634 0.84 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7201886 0.82 LMNA (0.40) CA12CA1CA2CA7CA9
SCHEMBL29400459 0.82 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL31090829 0.82 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1356418 0.82 FABP3 (0.47) CA1CA2KDM4EHPGDHSD17B10
SCHEMBL22911 0.82 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5549504 0.80 ALDH1A1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL343203 0.80 FABP3 (0.46) CA1CA2KDM4EHPGDHSD17B10
SCHEMBL10922833 0.80 ALDH1A1 (0.43) 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
EP-0494169-B1 Process for the preparation of charged thermosetting polyurethane compositions and homogeneous and stable suspensions of the charge JAYMO S N C (FR) 1996-11-13 EP claimed
US-5238969-A PROCESS FOR THE PREPARATION OF CHARGED THERMOSETTING COMPOUNDS OF THE POLYURETHANE TYPE AND COMPOUNDS OBTAINED THEREBY OMYA S.A. (FR) 1993-08-24 US claimed