SCHEMBL9754121

SCHEMBL9754121

CC(=O)OSc1ccccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.37
P2RY2 P41231 1/20 0.37
P2RY1 P47900 1/20 0.37
P2RY14 Q15391 1/20 0.37
PTGS2 P35354 4/20 0.36
CA2 P00918 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CETP P11597 1/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL9306266 0.81 RAB9A (0.39) RBP4ALDH1A1TDP1TSHRATM
SCHEMBL7030333 0.77 ALDH1A1 (0.43) RBP4ALDH1A1TDP1TSHRATM
SCHEMBL6248477 0.76 MTNR1A (0.50) TSHRPTGS2CA2KDM4ECA12
SCHEMBL29053925 0.76 ALDH1A1 (0.38) ALDH1A1TDP1TSHRPTGS2CA2
SCHEMBL6655975 0.76 THRB (0.39) ALDH1A1TDP1TSHRPTGS2CA2
SCHEMBL12379210 0.76 CA2 (0.53) RBP4ALDH1A1TDP1TSHRATM
SCHEMBL13145616 0.75 TDP1 (0.41) RBP4ALDH1A1TDP1TSHRATM
SCHEMBL9632576 0.74 IDO1 (0.40) ALDH1A1PTGS2CA2KDM4EGAA
SCHEMBL17644164 0.74 ALDH1A1 (0.38) RBP4ALDH1A1TDP1TSHRATM
SCHEMBL13145618 0.72 TDP1 (0.39) RBP4ALDH1A1TDP1TSHRATM

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
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed