SCHEMBL24086077

SCHEMBL24086077

CC(=O)OCC1OC2NC2C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TACR2 P21452 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ NT5E P21589 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL20626497 0.82 LMNA (0.44) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL20281028 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL13380996 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL30039523 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL24378390 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL12308089 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL20287904 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL20870237 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL3136372 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL27300740 0.81 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6

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
US-20210379253-A1 IMMOBILISED BIOLOGICAL ENTITIES CARMEDA AB (SE) 2021-12-09 — — US disclosed
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