SCHEMBL22020507

SCHEMBL22020507

CC(C)(O)C(C)(C)OBc1cc(Cl)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HPGD P15428 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP3A4 P08684 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ HTT P42858 3/20 0.34
▸ HSP90AA1 P07900 3/20 0.34
▸ HIF1A Q16665 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HSPA5 P11021 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ USP2 O75604 2/20 0.34

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
SCHEMBL16908224 0.84 CYP3A4 (0.35) TSHRSMN1; SMN2ALDH1A1CYP3A4MEN1
SCHEMBL18059180 0.83 CYP3A4 (0.37) HSD17B10TSHRHPGDSMN1; SMN2ALOX15
SCHEMBL23638849 0.79 PPARG (0.33) ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL19299415 0.78 PTGDR2 (0.36) HSD17B10TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL22791773 0.76 TSHR (0.36) HSD17B10TSHRHPGDSMN1; SMN2ALOX15
SCHEMBL19299397 0.75 PTGDR2 (0.39) HPGDALOX15MAPK1MEN1KMT2A
SCHEMBL21851533 0.74 MEN1 (0.42) TSHRMAPK1CYP3A4MEN1KMT2A
SCHEMBL22338201 0.73 EGFR (0.32) MAPK1HTTLMNA
SCHEMBL19073506 0.73 KDM4E (0.43) HSD17B10SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL24773785 0.73 — —

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-2020101169-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2020-05-22 — — WO disclosed
Send feedback