SCHEMBL7798245

SCHEMBL7798245

COc1ccccc1CC(=O)O.Cc1ccccc1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
CXCL8 P10145 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.49
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
CTBP2 P56545 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL155982 0.91 HSD17B10 (0.61) HSD17B10CXCL8TAAR1MAPTMEN1
SCHEMBL29431297 0.91 HSD17B10 (0.61) HSD17B10CXCL8TAAR1MAPTMEN1
Hydrochloric Acid SCHEMBL2527513 0.90 HSD17B10 (0.59) HSD17B10CXCL8TAAR1MAPTMEN1
SCHEMBL28215186 0.90 HSD17B10 (0.59) HSD17B10CXCL8TAAR1MAPTMEN1
SCHEMBL2528595 0.86 AKR1B1 (0.61) CXCL8MAPTTDP1MEN1KMT2A
SCHEMBL29631318 0.86 AKR1B1 (0.61) CXCL8MAPTTDP1MEN1KMT2A
SCHEMBL8285 0.86 AKR1B1 (0.61) CXCL8MAPTTDP1MEN1KMT2A
SCHEMBL7798248 0.85 TDP1 (0.53) TAAR1MAPTTDP1MEN1KMT2A
Anisole SCHEMBL30186745 0.85 HSD17B10 (0.63) HSD17B10CXCL8TAAR1MAPTTDP1
Ammonia Solution, Strong SCHEMBL22042026 0.84 CTBP2 (0.59) CXCL8MAPTTDP1MEN1KMT2A

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
EP-1161421-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE Pharmacia & Upjohn Aktiebolag (SE) 2001-12-12 EP disclosed
WO-2000053583-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2000-09-14 WO disclosed