SCHEMBL10339057

SCHEMBL10339057

C[N+](C)(C)CC(O)C(=O)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 4/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL11022263 0.89 LIG1 (0.49) HPGDKDM4EALDH1A1SMN1; SMN2CA12
Iodide SCHEMBL9636643 0.87 TERT (0.41) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL11023732 0.86 NPC1 (0.40) HPGDKDM4EALDH1A1CA12CA1
SCHEMBL4624134 0.84 SLC6A2 (0.42) HPGDSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8996014 0.80 CTSD (0.49) HPGDALDH1A1SMN1; SMN2CA12CA1
SCHEMBL2984616 0.79 HPGD (0.48) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL2221653 0.78 MDM2 (0.48) HPGDKDM4EALDH1A1SMN1; SMN2CA12
SCHEMBL16846415 0.77 ADRB2 (0.64) HPGDALDH1A1TSHRLMNAHSD17B10
Iodide SCHEMBL2353850 0.76 MDM2 (0.47) HPGDKDM4EALDH1A1SMN1; SMN2CA12
Hydrochloric Acid SCHEMBL2356480 0.76 MDM2 (0.47) HPGDKDM4EALDH1A1SMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0060059-B1 METHOD FOR DETERMINING THE ACTIVITY OF CHOLINESTERASE AND DIAGNOSTIC SOLUTION FOR USE THEREIN FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) 1985-08-21 EP claimed
JP-57166998-A None JP disclosed
JP-57144999-A None JP disclosed
JP-57166999-A None JP disclosed
JP-2167100-A None JP disclosed
JP-H02167100-A REAGENT COMPOSITION FOR DETERMINATION OF CHLORINE ESTERASE SHINOTESUTO KENKYUSHO:KK 1990-06-27 JP disclosed
EP-0155825-A2 Novel choline derivatives NITTO BOSEKI CO., LTD. (JP) 1985-09-25 EP disclosed
JP-S57166998-A DETERMINATION OF CHOLINESTERASE ACTIVITY FUJIREBIO INC 1982-10-14 JP disclosed
JP-S57166999-A DETERMINATION OF CHOLINESTERASE ACTIVITY FUJIREBIO INC 1982-10-14 JP disclosed
JP-S57144999-A MEASUREMENT OF ACTIVITY OF CHOLINESTERASE FUJIREBIO INC 1982-09-07 JP disclosed