Paraben

Paraben

SCHEMBL8429174

CC(C)(C)c1cc(-c2ccc(C(C)(C)C)cc2C(C)(C)C)cc(C(C)(C)C)c1.O=C(O)c1ccc(O)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 7/20 0.57
RXRA P19793 6/20 0.57
RXRG P48443 2/20 0.57
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
SRD5A2 P31213 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
CA2 P00918 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
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
SCHEMBL28147029 0.79 LMNA (0.54) CA1TDP1CA2TYRCYP3A4
Paraben SCHEMBL3858541 0.78 RXRA (0.68) RXRBRXRARXRGCA12CA1
SCHEMBL12139663 0.76 AKR1C3 (0.57) RXRBRXRARXRGCA12CA1
SCHEMBL25387140 0.76 ALDH1A1 (0.44) CA1TDP1CA2TYRCYP3A4
SCHEMBL6844262 0.73 TDP1 (0.46) RXRBCA12CA1CA9TDP1
SCHEMBL8429171 0.73 RXRB (0.46) RXRBRXRARXRGCA12CA1
SCHEMBL6563046 0.70 CA12 (0.50) RXRBRXRACA12CA1CA9
SCHEMBL4348947 0.70 ESR1 (0.67) RXRBRXRARXRGCA12CA1
Bisphenol A SCHEMBL2854094 0.70 ESR1 (0.67) RXRBRXRARXRGCA12CA1
SCHEMBL21523525 0.70 SRD5A2 (0.80) RXRBRXRARXRGCA12CA1

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
EP-0952005-A1 Inkjet-printing sheet Chemitrek, Co. Ltd. (JP) 1999-10-27 EP disclosed