SCHEMBL23877802

SCHEMBL23877802

COc1ccc(OC)c(-c2ccc(C(=O)O)cc2CN)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 1/20 0.47
TSHR P16473 3/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL22190047 0.83 TPMT (0.50) LMNACA1CA2CA12CA4
SCHEMBL28993336 0.81 CA12 (0.62) LMNAALDH1A1CA1CA2CA12
SCHEMBL2803303 0.81 LMNA (0.58) LMNAALDH1A1KDM4ECA1CA2
SCHEMBL18624970 0.80 TTR (0.46) ALDH1A1KDM4ECA1CA2CA12
SCHEMBL27902481 0.77 LMNA (0.61) LMNAALDH1A1KDM4ECA1CA2
SCHEMBL2039734 0.76 ALDH1A1 (0.63) LMNAALDH1A1KDM4ECA1CA2
SCHEMBL29788029 0.76 ALDH1A1 (0.63) LMNAALDH1A1KDM4ECA1CA2
SCHEMBL1251597 0.75 CA12 (0.62) LMNAALDH1A1KDM4ECA1CA2
SCHEMBL5150983 0.74 SMN1; SMN2 (0.66) LMNAALDH1A1KDM4EMAPTHPGD
SCHEMBL6248458 0.73 LMNA (0.68) LMNAALDH1A1KDM4ECA1CA2

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-3387004-B1 CYCLIC PEPTIDES TARGETING ALPHA4 BETA7 INTEGRIN ZEALAND PHARMA AS (DK) 2021-10-06 EP claimed