SCHEMBL19225926

SCHEMBL19225926

CO[C@@H]1CCN[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.44
FKBP1A P62942 1/20 0.44
GLA P06280 1/20 0.42
HTR2C P28335 1/20 0.42
CPB1 P15086 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL29109592 0.83 TSHR (0.53) TSHRALDH1A1FKBP1AGLAHTR2C
SCHEMBL2679496 0.82 TSHR (0.48) TSHRALDH1A1FKBP1AGLAHTR2C
SCHEMBL6165123 0.82 TSHR (0.48) TSHRALDH1A1FKBP1AGLAHTR2C
SCHEMBL19234323 0.82 TSHR (0.48) TSHRALDH1A1FKBP1AGLAHTR2C
SCHEMBL8773328 0.82 TSHR (0.48) TSHRALDH1A1FKBP1AGLAHTR2C
SCHEMBL3961462 0.81 KCNA5 (0.42) TSHRALDH1A1FKBP1ACPB1KDM4E
SCHEMBL3961467 0.81 KCNA5 (0.42) TSHRALDH1A1FKBP1ACPB1KDM4E
SCHEMBL3961464 0.81 KCNA5 (0.42) TSHRALDH1A1FKBP1ACPB1KDM4E
SCHEMBL3961461 0.81 KCNA5 (0.42) TSHRALDH1A1FKBP1ACPB1KDM4E
SCHEMBL19333763 0.81 KCNA5 (0.42) TSHRALDH1A1FKBP1ACPB1KDM4E

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
EP-2867225-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-08-09 EP disclosed