SCHEMBL7680641

SCHEMBL7680641

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRC P12931 1/20 0.46
SRD5A2 P31213 3/20 0.44
ANPEP P15144 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL1753887 0.91 TSHR (0.55) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL1753679 0.86 TSHR (0.48) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL2427033 0.81 SRC (0.48) ALDH1A1SMN1; SMN2SRCSRD5A2POLB
SCHEMBL3678814 0.80 SRC (0.73) ALDH1A1SRCKMT2AHPGDTDP1
SCHEMBL7303581 0.80 SRC (0.73) ALDH1A1SRCKMT2AHPGDTDP1
SCHEMBL22265095 0.79 BRD4 (0.57) TSHRSRCKMT2AALOX15POLB
SCHEMBL7821350 0.79 SRC (0.46) ALDH1A1SMN1; SMN2SRCKMT2APOLB
SCHEMBL8672582 0.79 SRC (0.46) TSHRALDH1A1SMN1; SMN2SRCPOLB
SCHEMBL6187748 0.78 PTGS2 (0.60) SMN1; SMN2SRC
SCHEMBL10936588 0.77 TSHR (0.52) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed