SCHEMBL7838433

SCHEMBL7838433

O=C(O)[C@](CO)(Cn1cccn1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KCNN4 O15554 1/20 0.35
KCNA3 P22001 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FDPS P14324 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL7838436 1.00 TSHR (0.41) TSHRALDH1A1HTTLMNAPOLB
SCHEMBL7836808 0.86 LMNA (0.42) TSHRALDH1A1HTTLMNAPOLB
SCHEMBL7836803 0.86 LMNA (0.42) TSHRALDH1A1HTTLMNAPOLB
SCHEMBL7837924 0.75 CYP11B1 (0.59) ALDH1A1POLBHSP90AA1
SCHEMBL7837929 0.75 CYP11B1 (0.59) ALDH1A1POLBHSP90AA1
SCHEMBL10762081 0.75 ALDH1A1 (0.59) TSHRALDH1A1HTTHDAC1HDAC6
SCHEMBL7835223 0.73 ARG1 (0.40) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL7835227 0.73 ARG1 (0.40) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL6761465 0.72 ALDH1A1 (0.52) TSHRALDH1A1HTTLMNAHDAC1
SCHEMBL7830204 0.70 ATM (0.39) TSHRALDH1A1HTTHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500864-B1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LTD (GB) 2001-09-19 EP disclosed
US-5292749-A Quinuclidine derivatives; bronchodilator agents, treatment of respiratory system disorders PFIZER INC. (US) 1994-03-08 US disclosed
EP-0500864-A1 ANTIMUSCARINIC BRONCHODILATORS Pfizer Limited (GB) 1992-09-02 EP disclosed
WO-1992004346-A1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LIMITED (GB) 1992-03-19 WO disclosed