SCHEMBL8435621

SCHEMBL8435621

O[C@@H](COc1cccc2ncccc12)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 5/20 0.76
▸ RRM1 P23921 1/20 0.53
▸ MAPT P10636 7/20 0.50
▸ LMNA P02545 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ MAPK1 P28482 5/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ DRD4 P21917 3/20 0.44
▸ USP2 O75604 2/20 0.44

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
SCHEMBL29640402 1.00 ABCB1 (0.76) ABCB1RRM1MAPTLMNAKDM4E
SCHEMBL8299655 1.00 ABCB1 (0.76) ABCB1RRM1MAPTLMNAKDM4E
SCHEMBL8644069 1.00 ABCB1 (0.76) ABCB1RRM1MAPTLMNAKDM4E
SCHEMBL9186633 0.96 ABCB1 (0.71) ABCB1RRM1MAPTLMNAKDM4E
SCHEMBL9185622 0.94 ABCB1 (0.76) ABCB1RRM1MAPTLMNAKDM4E
Fumaric Acid SCHEMBL8648023 0.93 ABCB1 (0.67) ABCB1RRM1MAPTLMNAKDM4E
SCHEMBL9183892 0.89 ABCB1 (0.69) ABCB1RRM1MAPTLMNAKDM4E
SCHEMBL9181623 0.89 ABCB1 (0.63) ABCB1MAPTLMNAKDM4EALDH1A1
SCHEMBL9185860 0.89 ABCB1 (0.76) ABCB1RRM1MAPTLMNAKDM4E
SCHEMBL9185238 0.89 ABCB1 (0.60) ABCB1RRM1MAPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603404-B1 PROCESS FOR PRODUCING GLYCIDE DERIVATIVE MITSUI CHEMICALS INC (JP) 1999-03-17 — — EP disclosed
US-5463061-A Process for production of glycide derivative MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-10-31 — — US disclosed
EP-0603404-A1 PROCESS FOR PRODUCING GLYCIDE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-06-29 — — EP disclosed
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