SCHEMBL8056715

SCHEMBL8056715

CC(C)(C)Oc1c(Br)cc(Br)cc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.67
▸ AKR1C3 P42330 2/20 0.50
▸ AKR1C2 P52895 2/20 0.50
▸ AKR1C1 Q04828 2/20 0.50
▸ AKR1C4 P17516 1/20 0.50
▸ GPR35 Q9HC97 4/20 0.41
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TPMT P51580 1/20 0.37
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35

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
Potassium Ion SCHEMBL8375393 0.83 HSD17B10 (0.46) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL8372308 0.81 HSD17B10 (0.59) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL7813490 0.80 HSD17B10 (1.00) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL4318333 0.77 HSD17B10 (0.69) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL8541393 0.76 HSD17B10 (0.67) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL5672900 0.73 AKR1C3 (0.55) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL8375398 0.72 HSD17B10 (0.62) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL2226763 0.70 AKR1C3 (0.61) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL8955994 0.69 KDM4E (0.49) HSD17B10LCKKDM4ETPMTMYC
SCHEMBL8044565 0.69 HSD17B10 (0.57) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785920-B1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 2000-05-17 — — EP disclosed
EP-0669940-B1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY UNIV TORONTO (CA) 1999-02-10 — — EP disclosed
US-5811521-A Multifunctional crosslinking reagents for hemoglobin, and crosslinked hemoglobin conjugates KLUGER RONALD H (CA) 1998-09-22 — — US disclosed
EP-0785920-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER, Ronald (CA) 1997-07-30 — — EP disclosed
WO-1997000236-A1 MULTIFUNCTIONAL CROSS-LINKING REAGENTS FOR HEMOGLOBIN, AND CROSS-LINKED HEMOGLOBIN CONJUGATES KLUGER RONALD (CA) 1997-01-03 — — WO disclosed
EP-0669940-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1995-09-06 — — EP disclosed
US-5399671-A Specifically crosslinked hemoglobin with free functionality UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION, THE (CA) 1995-03-21 — — US disclosed
WO-1994011399-A1 SPECIFICALLY CROSSLINKED HEMOGLOBIN WITH FREE FUNCTIONALITY KLUGER RONALD (CA) 1994-05-26 — — WO disclosed
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