SCHEMBL10424970

SCHEMBL10424970

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SRD5A2 P31213 3/20 0.42
ALDH1A1 P00352 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ELANE P08246 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 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
SCHEMBL10424969 0.93 ELANE (0.42) TSHRALDH1A1CA1CA2MAPT
SCHEMBL29450328 0.87 TDP1 (0.50) TP53TSHRALDH1A1MAPTL3MBTL1
SCHEMBL24948275 0.84 ALDH1A1 (0.41) ALDH1A1CA1CA2MAPTTDP1
SCHEMBL27759175 0.83 RXRA (0.42) CA1CA2RXRARXRBKMT2A
SCHEMBL5299056 0.81 ALDH1A1 (0.47) TSHRALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL2456547 0.80 TSHR (0.44) TP53TSHRSRD5A2ALDH1A1CA1
SCHEMBL25468057 0.79 NPC1 (0.41) ALDH1A1CA1CA2MAPTSMN1; SMN2
SCHEMBL527251 0.79 CA1 (0.54) TP53TSHRSRD5A2ALDH1A1CA1
Terephthalic Acid SCHEMBL28593523 0.78 TSHR (0.57) TP53TSHRSRD5A2ALDH1A1CA1
SCHEMBL3720233 0.78 TP53 (0.39) TP53TSHRSRD5A2ALDH1A1CA1

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
CN-103635355-A System for protecting goods during transport BASF SE 2014-03-12 CN disclosed
US-4975522-A Crosslinkable compounds and method for making Adademie der Wissenschaften der DDR (DD) 1990-12-04 US disclosed