SCHEMBL7407166

SCHEMBL7407166

O=C(O)CC1(CC(=O)NO)CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 9/20 0.57
USP2 O75604 2/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
BLM P54132 1/20 0.57
CACNA2D1 P54289 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD11B1 P28845 1/20 0.53
HPGD P15428 2/20 0.50
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 1/20 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
SCHEMBL7410366 1.00 MAPK1 (0.59) MAPK1ALDH1A1USP2TSHRLMNA
SCHEMBL7407205 0.98 MAPK1 (0.57) MAPK1ALDH1A1USP2TSHRLMNA
SCHEMBL32681951 0.92 MAPK1 (0.49) MAPK1ALDH1A1USP2TSHRLMNA
SCHEMBL10602483 0.85 ALDH1A1 (0.74) MAPK1ALDH1A1USP2TSHRLMNA
SCHEMBL3421776 0.85 ALDH1A1 (0.74) MAPK1ALDH1A1USP2TSHRLMNA
SCHEMBL98282 0.85 ALDH1A1 (0.74) MAPK1ALDH1A1USP2TSHRLMNA
SCHEMBL2871721 0.85 ALDH1A1 (0.74) MAPK1ALDH1A1USP2TSHRLMNA
SCHEMBL929568 0.83 ALDH1A1 (0.71) MAPK1ALDH1A1USP2TSHRLMNA
Hydrochloric Acid SCHEMBL4137591 0.83 ALDH1A1 (0.71) MAPK1ALDH1A1USP2TSHRLMNA
SCHEMBL337085 0.82 ALDH1A1 (0.70) MAPK1ALDH1A1USP2TSHRLMNA

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-4152326-A AND CYCLIC HYDROXYIMIDES, INTERMEDIATES IN PREPARATION OF CYCLIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 1979-05-01 US claimed
US-4152326-A AND CYCLIC HYDROXYIMIDES, INTERMEDIATES IN PREPARATION OF CYCLIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 1979-05-01 US disclosed