SCHEMBL673214

SCHEMBL673214

CC(O)C(C)(O)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SRD5A2 P31213 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
PDCD1 Q15116 1/20 0.38

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
SCHEMBL11515477 0.80 MAPT (0.49) MAPTKMT2ATP53TSHRSRD5A2
SCHEMBL3085264 0.80 MAPT (0.43) MAPTKMT2ATP53TSHRSRD5A2
SCHEMBL351316 0.80 TSHR (0.50) MAPTKMT2ATP53TSHRSRD5A2
SCHEMBL7115499 0.80 TSHR (0.50) MAPTKMT2ATP53TSHRSRD5A2
SCHEMBL3093196 0.79 MAPT (0.49) MAPTKMT2ATP53TSHRCA1
SCHEMBL527251 0.77 CA1 (0.54) MAPTKMT2ATP53TSHRSRD5A2
Ammonia Solution, Strong SCHEMBL7374147 0.76 CA1 (0.53) MAPTKMT2ATP53TSHRSRD5A2
SCHEMBL902823 0.76 CA1 (0.52) MAPTKMT2ATP53TSHRSRD5A2
Benzoic Acid SCHEMBL5085502 0.76 TSHR (0.58) MAPTKMT2ATP53TSHRSRD5A2
Benzoic Acid SCHEMBL10978489 0.75 TSHR (0.52) MAPTTP53TSHRSRD5A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606085-A1 STABLE AQUEOUS WAX DISPERSIONS Clariant Finance (BVI) Limited (VG) 2013-06-26 EP disclosed
WO-2012022389-A1 STABLE AQUEOUS WAX DISPERSIONS CLARIANT INTERNATIONAL LTD (CH) 2012-02-23 WO disclosed
US-20070259984-A1 Microporous coating based on polyurethane polyurea BAYER MATERIALSCIENCE AG 2007-11-08 US disclosed
US-5508370-A POLYETHERURETHANE COPOLYMER; TEXTILE FINISH BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed