SCHEMBL28021148

SCHEMBL28021148

CCP(c1ccccc1)(c1ccccc1)(c1ccccc1O)c1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
CA2 P00918 4/20 0.36
HSD17B10 Q99714 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
LMNA P02545 2/20 0.36
CA4 P22748 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CA3 P07451 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9318156 0.79 TP53 (0.41) TSHRLMNATP53
Hydrochloric Acid SCHEMBL3853452 0.77 TP53 (0.39) TSHRKDM4ELMNACYP3A4MAPT
SCHEMBL27648132 0.77 CA12 (0.42) TSHRALDH1A1CA2HSD17B10TDP1
SCHEMBL28973793 0.72 DBH (0.39) TSHRALDH1A1HPGDCA2HSD17B10
Iodide SCHEMBL27492941 0.71 ALDH1A1 (0.41) TSHRALDH1A1HPGDCA2HSD17B10
Hydrochloric Acid SCHEMBL27586466 0.71 ALDH1A1 (0.41) TSHRALDH1A1HPGDCA2HSD17B10
Bromide SCHEMBL27316400 0.71 ALDH1A1 (0.41) TSHRALDH1A1HPGDCA2HSD17B10
Fluoride SCHEMBL28195395 0.71 ALDH1A1 (0.41) TSHRALDH1A1HPGDCA2HSD17B10
SCHEMBL27955954 0.71 PTGS1 (0.43) ALDH1A1CA2LMNANPC1CA1
Acetic Acid SCHEMBL27454734 0.69 AKR1B1 (0.41) TSHRALDH1A1HPGDCA2HSD17B10

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
CN-103124757-B Advanced composition epoxy resin DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-25 CN disclosed