SCHEMBL27478705

SCHEMBL27478705

CC(C)Oc1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.57
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX12 P18054 1/20 0.49
ALDH1A1 P00352 5/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 1/20 0.46

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
SCHEMBL104892 0.85 IRAK4 (0.70) IRAK4HSD17B10KDM4EHPGDCYP2C9
Benzene SCHEMBL27809575 0.84 IRAK4 (0.68) IRAK4HSD17B10KDM4EHPGDCYP2C9
Bicarbonate SCHEMBL21811920 0.84 IRAK4 (0.68) IRAK4HSD17B10KDM4EHPGDCYP2C9
SCHEMBL10763308 0.84 IRAK4 (0.68) IRAK4HSD17B10KDM4EHPGDCYP2C9
Bicarbonate SCHEMBL236925 0.84 IRAK4 (0.68) IRAK4HSD17B10KDM4EHPGDCYP2C9
Bicarbonate SCHEMBL29943521 0.84 IRAK4 (0.68) IRAK4HSD17B10KDM4EHPGDCYP2C9
SCHEMBL7792695 0.82 SMN1; SMN2 (0.55) IRAK4KDM4EHPGDALDH1A1
SCHEMBL7794937 0.82 FABP3 (0.49) IRAK4HSD17B10KDM4EHPGDALDH1A1
SCHEMBL31634047 0.81 IRAK4 (0.50) IRAK4HSD17B10CYP2C9ALDH1A1CA1
SCHEMBL3632568 0.81 IRAK4 (0.50) IRAK4HSD17B10CYP2C9ALDH1A1CA1

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-1160309-C Alkyloxyamino substituted fluorenones and their use as protein kinase cinhibitors �ճ�˹�������³˹��˾ 2004-08-04 CN disclosed
CN-1220660-A Alkyloxyamino substituted fluorenones and their use as protein kinase cinhibitors HOECHST MARION ROUSSEL INC (US) 1999-06-23 CN disclosed