SCHEMBL8647889

SCHEMBL8647889

C[C@@H](OC(=O)c1ccccc1O)[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 6/20 0.47
HSD17B10 Q99714 4/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 7/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
HMGB1 P09429 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL5195832 0.82 LMNA (0.58) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL28810420 0.82 LMNA (0.58) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL3448818 0.80 TSHR (0.56) LMNATSHRALDH1A1CA12CA1
SCHEMBL3448816 0.80 TSHR (0.56) LMNATSHRALDH1A1CA12CA1
SCHEMBL8742101 0.80 LMNA (0.56) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL2677485 0.80 HSD17B10 (0.56) LMNATSHRHPGDHSD17B10ALDH1A1
Ammonia Solution, Strong SCHEMBL28191283 0.79 LMNA (0.55) LMNATSHRHPGDHSD17B10ALOX15
Benzene SCHEMBL27639863 0.78 CA12 (0.61) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL29677974 0.78 CA12 (0.66) LMNATSHRHPGDHSD17B10ALOX15
SCHEMBL39139 0.78 CA12 (0.66) LMNATSHRHPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5800804-A DEODORIZING COMPOSITION USING AMINO ACID DERIVATIVES THE GILLETTE COMPANY (US) 1998-09-01 US claimed
US-5800804-A DEODORIZING COMPOSITION USING AMINO ACID DERIVATIVES THE GILLETTE COMPANY (US) 1998-09-01 US disclosed