SCHEMBL13123723

SCHEMBL13123723

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.59
RXRB P28702 3/20 0.59
NR4A2 P43354 2/20 0.59
PKM P14618 1/20 0.50
PLA2G4B P0C869 2/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
SRD5A2 P31213 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL5914350 0.86 PKM (0.64) RXRARXRBNR4A2PKMPLA2G4B
SCHEMBL18607386 0.86 AR (0.53) TP53TSHRNPC1RAB9APOLB
SCHEMBL5959123 0.86 AR (0.53) TP53TSHRNPC1RAB9APOLB
SCHEMBL1634704 0.82 PARP15 (0.58) RXRARXRBNR4A2TSHRNPC1
SCHEMBL1635858 0.82 SRD5A2 (0.65) RXRARXRBNR4A2TP53TSHR
SCHEMBL71433 0.82 SRD5A2 (0.65) RXRARXRBNR4A2TP53TSHR
Terephthalic Acid SCHEMBL8989156 0.81 CA1 (0.74) RXRARXRBNR4A2MAPK1NPC1
SCHEMBL12432038 0.81 MDH1 (0.45) RXRARXRBNR4A2NPC1RAB9A
Hydrochloric Acid SCHEMBL25180291 0.80 SRD5A2 (0.63) RXRARXRBNR4A2TP53TSHR
Hydrochloric Acid SCHEMBL31614202 0.80 SRD5A2 (0.63) RXRARXRBNR4A2TP53TSHR

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-7812190-B2 Derivatization and solubilization of fullerenes for use in therapeutic and diagnostic applications TDA RESEARCH, INC. (US) 2010-10-12 US disclosed